NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
503548 | 1wen | 11354 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -0.454 35.684 9.700 2 HA2 GLY 1 1HA GLY 1 -0.524 34.853 6.917 3 HA3 GLY 1 2HA GLY 1 1.082 35.092 7.588 4 H SER 2 H SER 2 1.789 33.011 7.593 5 HA SER 2 HA SER 2 0.683 31.281 9.633 6 HB2 SER 2 1HB SER 2 0.497 29.332 8.086 7 HB3 SER 2 2HB SER 2 -0.672 30.605 7.738 8 HG SER 2 HG SER 2 1.794 30.204 6.388 9 H SER 3 H SER 3 2.300 30.351 10.695 10 HA SER 3 HA SER 3 4.997 30.611 9.735 11 HB2 SER 3 1HB SER 3 4.366 30.897 12.136 12 HB3 SER 3 2HB SER 3 4.007 29.172 12.207 13 HG SER 3 HG SER 3 6.492 30.455 11.861 14 H GLY 4 H GLY 4 6.478 28.920 9.351 15 HA2 GLY 4 1HA GLY 4 5.175 26.435 8.449 16 HA3 GLY 4 2HA GLY 4 6.680 27.079 7.807 17 H SER 5 H SER 5 5.228 25.704 10.736 18 HA SER 5 HA SER 5 7.256 25.320 12.423 19 HB2 SER 5 1HB SER 5 5.145 24.335 12.945 20 HB3 SER 5 2HB SER 5 5.222 23.266 11.544 21 HG SER 5 HG SER 5 6.578 21.974 12.577 22 H SER 6 H SER 6 9.266 24.583 12.352 23 HA SER 6 HA SER 6 10.287 23.305 10.002 24 HB2 SER 6 1HB SER 6 11.475 24.184 12.616 25 HB3 SER 6 2HB SER 6 12.405 23.164 11.519 26 HG SER 6 HG SER 6 11.169 25.572 10.692 27 H GLY 7 H GLY 7 9.898 22.307 13.398 28 HA2 GLY 7 1HA GLY 7 10.944 19.808 13.412 29 HA3 GLY 7 2HA GLY 7 9.456 20.207 14.258 30 H ASP 8 H ASP 8 7.432 19.934 13.108 31 HA ASP 8 HA ASP 8 7.508 18.296 10.704 32 HB2 ASP 8 1HB ASP 8 7.633 16.583 12.380 33 HB3 ASP 8 2HB ASP 8 6.351 17.337 13.325 34 H MET 9 H MET 9 5.883 18.795 9.372 35 HA MET 9 HA MET 9 3.703 20.453 10.442 36 HB2 MET 9 1HB MET 9 3.409 21.253 8.134 37 HB3 MET 9 2HB MET 9 5.038 21.549 8.726 38 HG2 MET 9 1HG MET 9 5.448 20.777 6.609 39 HG3 MET 9 2HG MET 9 5.589 19.299 7.557 40 HE1 MET 9 1HE MET 9 3.678 19.945 3.911 41 HE2 MET 9 2HE MET 9 5.284 19.998 4.638 42 HE3 MET 9 3HE MET 9 4.572 18.449 4.183 43 HA PRO 10 HA PRO 10 0.772 17.269 9.655 44 HB2 PRO 10 1HB PRO 10 -1.460 18.782 9.343 45 HB3 PRO 10 2HB PRO 10 -0.696 18.510 10.914 46 HG2 PRO 10 1HG PRO 10 -0.475 20.869 9.083 47 HG3 PRO 10 2HG PRO 10 -0.666 20.834 10.846 48 HD2 PRO 10 1HD PRO 10 1.726 21.255 9.647 49 HD3 PRO 10 2HD PRO 10 1.573 20.419 11.206 50 H VAL 11 H VAL 11 -0.986 16.682 8.062 51 HA VAL 11 HA VAL 11 -0.023 16.571 5.480 52 HB VAL 11 HB VAL 11 -2.314 15.940 4.781 53 HG11 VAL 11 1HG1 VAL 11 -1.859 13.907 5.554 54 HG12 VAL 11 2HG1 VAL 11 -0.619 14.629 6.581 55 HG13 VAL 11 3HG1 VAL 11 -2.252 14.391 7.203 56 HG21 VAL 11 1HG2 VAL 11 -3.956 15.717 6.775 57 HG22 VAL 11 2HG2 VAL 11 -2.970 16.982 7.509 58 HG23 VAL 11 3HG2 VAL 11 -3.784 17.279 5.973 59 H ASP 12 H ASP 12 -1.430 17.374 3.529 60 HA ASP 12 HA ASP 12 -2.516 20.024 3.802 61 HB2 ASP 12 1HB ASP 12 -0.181 19.906 1.947 62 HB3 ASP 12 2HB ASP 12 -0.872 21.287 2.794 63 HA PRO 13 HA PRO 13 -4.723 18.781 0.218 64 HB2 PRO 13 1HB PRO 13 -5.308 21.192 -0.885 65 HB3 PRO 13 2HB PRO 13 -6.088 20.593 0.583 66 HG2 PRO 13 1HG PRO 13 -3.819 22.525 0.297 67 HG3 PRO 13 2HG PRO 13 -5.227 22.603 1.373 68 HD2 PRO 13 1HD PRO 13 -2.788 21.787 2.221 69 HD3 PRO 13 2HD PRO 13 -4.298 21.147 2.900 70 H ASN 14 H ASN 14 -1.654 19.976 0.071 71 HA ASN 14 HA ASN 14 -1.104 20.855 -2.438 72 HB2 ASN 14 1HB ASN 14 0.718 20.654 -0.953 73 HB3 ASN 14 2HB ASN 14 0.416 18.941 -0.678 74 HD21 ASN 14 1HD2 ASN 14 1.479 21.286 -3.072 75 HD22 ASN 14 2HD2 ASN 14 2.460 20.190 -3.979 76 H GLU 15 H GLU 15 -1.272 17.412 -1.520 77 HA GLU 15 HA GLU 15 -2.156 16.799 -4.245 78 HB2 GLU 15 1HB GLU 15 0.295 15.794 -2.892 79 HB3 GLU 15 2HB GLU 15 -0.627 14.643 -3.850 80 HG2 GLU 15 1HG GLU 15 -0.411 16.043 -5.807 81 HG3 GLU 15 2HG GLU 15 0.424 17.275 -4.863 82 HA PRO 16 HA PRO 16 -5.072 14.142 -2.327 83 HB2 PRO 16 1HB PRO 16 -5.292 12.151 -4.159 84 HB3 PRO 16 2HB PRO 16 -5.946 13.772 -4.419 85 HG2 PRO 16 1HG PRO 16 -3.390 12.578 -5.420 86 HG3 PRO 16 2HG PRO 16 -4.565 13.589 -6.281 87 HD2 PRO 16 1HD PRO 16 -2.255 14.579 -5.272 88 HD3 PRO 16 2HD PRO 16 -3.745 15.540 -5.368 89 H THR 17 H THR 17 -5.308 12.235 -1.142 90 HA THR 17 HA THR 17 -2.799 10.807 -0.638 91 HB THR 17 HB THR 17 -3.991 9.956 1.408 92 HG1 THR 17 1HG THR 17 -5.874 12.009 1.099 93 HG21 THR 17 1HG2 THR 17 -4.122 12.388 2.430 94 HG22 THR 17 2HG2 THR 17 -3.382 12.827 0.890 95 HG23 THR 17 3HG2 THR 17 -2.578 11.679 1.960 96 H TYR 18 H TYR 18 -2.674 8.557 -0.620 97 HA TYR 18 HA TYR 18 -4.958 7.133 -1.814 98 HB2 TYR 18 1HB TYR 18 -2.039 6.720 -2.494 99 HB3 TYR 18 2HB TYR 18 -3.388 5.796 -3.145 100 HD1 TYR 18 1HD TYR 18 -2.234 9.339 -2.851 101 HD2 TYR 18 2HD TYR 18 -4.243 6.415 -5.200 102 HE1 TYR 18 1HE TYR 18 -2.460 10.971 -4.677 103 HE2 TYR 18 2HE TYR 18 -4.474 8.038 -7.033 104 HH TYR 18 HH TYR 18 -3.951 10.071 -7.770 105 H CYS 19 H CYS 19 -1.735 6.110 -0.721 106 HA CYS 19 HA CYS 19 -2.557 3.742 0.467 107 HB2 CYS 19 1HB CYS 19 -0.205 4.306 -0.064 108 HB3 CYS 19 2HB CYS 19 -0.196 5.454 1.271 109 H LEU 20 H LEU 20 -2.540 3.164 2.775 110 HA LEU 20 HA LEU 20 -4.419 4.593 4.243 111 HB2 LEU 20 1HB LEU 20 -2.312 2.762 5.375 112 HB3 LEU 20 2HB LEU 20 -3.866 3.165 6.101 113 HG LEU 20 HG LEU 20 -4.766 2.080 3.848 114 HD11 LEU 20 1HD1 LEU 20 -3.061 -0.046 3.815 115 HD12 LEU 20 2HD1 LEU 20 -1.948 1.311 3.987 116 HD13 LEU 20 3HD1 LEU 20 -3.076 1.262 2.632 117 HD21 LEU 20 1HD2 LEU 20 -4.978 1.430 6.368 118 HD22 LEU 20 2HD2 LEU 20 -3.810 0.179 5.941 119 HD23 LEU 20 3HD2 LEU 20 -5.365 0.252 5.112 120 H CYS 21 H CYS 21 -0.946 4.902 4.115 121 HA CYS 21 HA CYS 21 -0.364 6.245 6.442 122 HB2 CYS 21 1HB CYS 21 0.732 6.689 3.661 123 HB3 CYS 21 2HB CYS 21 1.429 7.406 5.109 124 H HIS 22 H HIS 22 -2.385 7.266 3.893 125 HA HIS 22 HA HIS 22 -3.608 9.151 3.537 126 HB2 HIS 22 1HB HIS 22 -2.810 9.592 6.411 127 HB3 HIS 22 2HB HIS 22 -3.836 10.727 5.538 128 HD1 HIS 22 1HD HIS 22 -5.775 8.931 4.117 129 HD2 HIS 22 2HD HIS 22 -4.503 8.220 8.008 130 HE1 HIS 22 1HE HIS 22 -7.560 7.496 5.157 131 HE2 HIS 22 2HE HIS 22 -6.810 7.151 7.536 132 H GLN 23 H GLN 23 -0.921 9.110 2.656 133 HA GLN 23 HA GLN 23 -0.237 11.969 2.858 134 HB2 GLN 23 1HB GLN 23 1.530 9.544 2.789 135 HB3 GLN 23 2HB GLN 23 2.129 11.097 2.222 136 HG2 GLN 23 1HG GLN 23 0.840 10.984 4.893 137 HG3 GLN 23 2HG GLN 23 2.455 10.300 4.711 138 HE21 GLN 23 1HE2 GLN 23 0.529 13.197 4.551 139 HE22 GLN 23 2HE2 GLN 23 1.846 14.315 4.596 140 H VAL 24 H VAL 24 1.017 12.765 0.933 141 HA VAL 24 HA VAL 24 -0.462 12.235 -1.435 142 HB VAL 24 HB VAL 24 0.825 13.909 -2.486 143 HG11 VAL 24 1HG1 VAL 24 1.177 15.552 -0.376 144 HG12 VAL 24 2HG1 VAL 24 -0.395 15.206 -1.101 145 HG13 VAL 24 3HG1 VAL 24 0.123 14.335 0.343 146 HG21 VAL 24 1HG2 VAL 24 2.904 13.344 -0.385 147 HG22 VAL 24 2HG2 VAL 24 3.045 13.158 -2.133 148 HG23 VAL 24 3HG2 VAL 24 2.949 14.769 -1.423 149 H SER 25 H SER 25 0.942 12.015 -3.568 150 HA SER 25 HA SER 25 1.887 9.363 -3.618 151 HB2 SER 25 1HB SER 25 2.126 9.641 -5.910 152 HB3 SER 25 2HB SER 25 0.949 10.899 -5.532 153 HG SER 25 HG SER 25 2.339 12.315 -6.193 154 H TYR 26 H TYR 26 3.845 8.504 -3.316 155 HA TYR 26 HA TYR 26 6.286 9.856 -3.792 156 HB2 TYR 26 1HB TYR 26 7.086 10.263 -1.598 157 HB3 TYR 26 2HB TYR 26 5.470 10.959 -1.648 158 HD1 TYR 26 1HD TYR 26 7.196 7.777 -0.723 159 HD2 TYR 26 2HD TYR 26 4.003 10.473 0.073 160 HE1 TYR 26 1HE TYR 26 6.568 6.442 1.245 161 HE2 TYR 26 2HE TYR 26 3.366 9.147 2.044 162 HH TYR 26 HH TYR 26 4.921 6.079 2.773 163 H GLY 27 H GLY 27 8.175 8.546 -3.168 164 HA2 GLY 27 1HA GLY 27 9.273 6.529 -3.220 165 HA3 GLY 27 2HA GLY 27 8.095 6.028 -2.016 166 H GLU 28 H GLU 28 8.845 4.020 -3.437 167 HA GLU 28 HA GLU 28 7.611 3.663 -5.958 168 HB2 GLU 28 1HB GLU 28 8.717 1.739 -3.921 169 HB3 GLU 28 2HB GLU 28 7.987 1.185 -5.421 170 HG2 GLU 28 1HG GLU 28 10.387 1.281 -5.638 171 HG3 GLU 28 2HG GLU 28 9.631 2.473 -6.694 172 H MET 29 H MET 29 5.623 2.993 -6.523 173 HA MET 29 HA MET 29 3.836 1.970 -4.430 174 HB2 MET 29 1HB MET 29 3.012 4.037 -6.472 175 HB3 MET 29 2HB MET 29 2.026 3.387 -5.169 176 HG2 MET 29 1HG MET 29 3.590 4.397 -3.542 177 HG3 MET 29 2HG MET 29 4.463 5.127 -4.887 178 HE1 MET 29 1HE MET 29 1.396 5.706 -2.399 179 HE2 MET 29 2HE MET 29 0.168 6.105 -3.601 180 HE3 MET 29 3HE MET 29 0.929 4.513 -3.613 181 H ILE 30 H ILE 30 1.788 1.047 -5.418 182 HA ILE 30 HA ILE 30 2.257 -0.063 -8.094 183 HB ILE 30 HB ILE 30 1.763 -2.287 -7.450 184 HG12 ILE 30 1HG1 ILE 30 0.042 -1.451 -5.692 185 HG13 ILE 30 2HG1 ILE 30 0.869 -2.978 -5.407 186 HG21 ILE 30 1HG2 ILE 30 3.545 -2.817 -5.871 187 HG22 ILE 30 2HG2 ILE 30 4.062 -1.586 -7.021 188 HG23 ILE 30 3HG2 ILE 30 3.620 -1.126 -5.377 189 HD11 ILE 30 1HD1 ILE 30 2.180 -2.100 -3.723 190 HD12 ILE 30 2HD1 ILE 30 1.959 -0.440 -4.277 191 HD13 ILE 30 3HD1 ILE 30 0.634 -1.287 -3.480 192 H GLY 31 H GLY 31 0.224 -1.318 -8.825 193 HA2 GLY 31 1HA GLY 31 -2.141 0.257 -8.013 194 HA3 GLY 31 2HA GLY 31 -1.850 -0.285 -9.659 195 H CYS 32 H CYS 32 -3.703 -0.846 -7.055 196 HA CYS 32 HA CYS 32 -3.676 -3.636 -6.734 197 HB2 CYS 32 1HB CYS 32 -4.813 -1.974 -5.226 198 HB3 CYS 32 2HB CYS 32 -6.078 -1.826 -6.441 199 H ASP 33 H ASP 33 -4.539 -5.275 -7.864 200 HA ASP 33 HA ASP 33 -5.376 -4.866 -10.538 201 HB2 ASP 33 1HB ASP 33 -4.268 -6.913 -10.021 202 HB3 ASP 33 2HB ASP 33 -5.417 -7.290 -8.740 203 H ASN 34 H ASN 34 -7.102 -5.444 -7.529 204 HA ASN 34 HA ASN 34 -9.623 -6.062 -8.487 205 HB2 ASN 34 1HB ASN 34 -8.704 -5.862 -6.043 206 HB3 ASN 34 2HB ASN 34 -9.321 -4.216 -6.144 207 HD21 ASN 34 1HD2 ASN 34 -10.724 -4.878 -4.405 208 HD22 ASN 34 2HD2 ASN 34 -12.188 -5.722 -4.766 209 HA PRO 35 HA PRO 35 -10.580 -2.326 -10.728 210 HB2 PRO 35 1HB PRO 35 -13.046 -3.125 -11.537 211 HB3 PRO 35 2HB PRO 35 -11.554 -3.697 -12.294 212 HG2 PRO 35 1HG PRO 35 -13.273 -5.038 -10.243 213 HG3 PRO 35 2HG PRO 35 -12.505 -5.729 -11.684 214 HD2 PRO 35 1HD PRO 35 -11.470 -6.023 -9.199 215 HD3 PRO 35 2HD PRO 35 -10.453 -5.925 -10.651 216 H ASP 36 H ASP 36 -12.338 -3.725 -8.088 217 HA ASP 36 HA ASP 36 -14.236 -1.577 -7.840 218 HB2 ASP 36 1HB ASP 36 -13.514 -3.656 -5.769 219 HB3 ASP 36 2HB ASP 36 -14.990 -2.697 -5.849 220 H CYS 37 H CYS 37 -11.201 -2.507 -6.297 221 HA CYS 37 HA CYS 37 -11.010 -0.917 -4.133 222 HB2 CYS 37 1HB CYS 37 -9.212 -2.380 -5.368 223 HB3 CYS 37 2HB CYS 37 -8.722 -0.839 -6.065 224 H SER 38 H SER 38 -11.064 1.184 -3.647 225 HA SER 38 HA SER 38 -11.518 3.096 -5.769 226 HB2 SER 38 1HB SER 38 -11.542 3.325 -2.756 227 HB3 SER 38 2HB SER 38 -11.814 4.699 -3.826 228 HG SER 38 HG SER 38 -13.431 2.963 -4.751 229 H ILE 39 H ILE 39 -9.103 2.539 -3.238 230 HA ILE 39 HA ILE 39 -7.513 4.805 -3.885 231 HB ILE 39 HB ILE 39 -6.643 2.283 -2.471 232 HG12 ILE 39 1HG1 ILE 39 -7.564 4.837 -1.165 233 HG13 ILE 39 2HG1 ILE 39 -8.684 3.532 -1.537 234 HG21 ILE 39 1HG2 ILE 39 -4.945 3.735 -1.456 235 HG22 ILE 39 2HG2 ILE 39 -4.784 3.658 -3.210 236 HG23 ILE 39 3HG2 ILE 39 -5.509 5.076 -2.453 237 HD11 ILE 39 1HD1 ILE 39 -6.358 3.494 0.356 238 HD12 ILE 39 2HD1 ILE 39 -8.069 3.256 0.713 239 HD13 ILE 39 3HD1 ILE 39 -7.177 2.028 -0.185 240 H GLU 40 H GLU 40 -6.761 1.339 -4.305 241 HA GLU 40 HA GLU 40 -5.502 0.234 -5.845 242 HB2 GLU 40 1HB GLU 40 -5.873 2.374 -7.879 243 HB3 GLU 40 2HB GLU 40 -6.007 0.629 -8.047 244 HG2 GLU 40 1HG GLU 40 -8.109 1.016 -6.482 245 HG3 GLU 40 2HG GLU 40 -8.035 2.619 -7.214 246 H TRP 41 H TRP 41 -4.136 1.984 -4.097 247 HA TRP 41 HA TRP 41 -1.637 2.176 -5.460 248 HB2 TRP 41 1HB TRP 41 -3.160 4.696 -4.831 249 HB3 TRP 41 2HB TRP 41 -1.401 4.684 -4.911 250 HD1 TRP 41 HD TRP 41 -4.413 5.013 -7.058 251 HE1 TRP 41 1HE TRP 41 -3.739 5.043 -9.542 252 HE3 TRP 41 3HE TRP 41 0.446 3.491 -6.599 253 HZ2 TRP 41 2HZ TRP 41 -1.451 4.494 -11.101 254 HZ3 TRP 41 3HZ TRP 41 1.809 3.268 -8.636 255 HH2 TRP 41 HH TRP 41 0.879 3.759 -10.839 256 H PHE 42 H PHE 42 -0.158 1.631 -4.007 257 HA PHE 42 HA PHE 42 -0.346 2.646 -1.280 258 HB2 PHE 42 1HB PHE 42 -0.104 -0.304 -1.909 259 HB3 PHE 42 2HB PHE 42 0.009 0.413 -0.305 260 HD1 PHE 42 1HD PHE 42 -2.275 -0.094 -3.175 261 HD2 PHE 42 2HD PHE 42 -1.911 0.825 0.965 262 HE1 PHE 42 1HE PHE 42 -4.713 -0.303 -2.918 263 HE2 PHE 42 2HE PHE 42 -4.348 0.616 1.229 264 HZ PHE 42 HZ PHE 42 -5.752 0.051 -0.714 265 H HIS 43 H HIS 43 1.634 2.587 -0.128 266 HA HIS 43 HA HIS 43 3.943 2.796 -1.833 267 HB2 HIS 43 1HB HIS 43 3.762 3.018 1.178 268 HB3 HIS 43 2HB HIS 43 5.114 3.533 0.175 269 HD2 HIS 43 2HD HIS 43 3.976 5.539 -1.884 270 HE1 HIS 43 1HE HIS 43 1.627 7.222 1.222 271 HE2 HIS 43 2HE HIS 43 2.499 7.521 -1.122 272 H PHE 44 H PHE 44 5.715 1.477 -1.911 273 HA PHE 44 HA PHE 44 5.423 -1.246 -1.545 274 HB2 PHE 44 1HB PHE 44 7.798 0.544 -1.881 275 HB3 PHE 44 2HB PHE 44 8.055 -1.156 -1.500 276 HD1 PHE 44 2HD PHE 44 5.480 0.436 -3.658 277 HD2 PHE 44 1HD PHE 44 8.890 -2.102 -3.438 278 HE1 PHE 44 2HE PHE 44 5.204 -0.134 -6.035 279 HE2 PHE 44 1HE PHE 44 8.621 -2.675 -5.816 280 HZ PHE 44 HZ PHE 44 6.775 -1.692 -7.117 281 H ALA 45 H ALA 45 7.706 0.694 0.383 282 HA ALA 45 HA ALA 45 8.318 -1.008 2.369 283 HB1 ALA 45 1HB ALA 45 8.703 0.864 3.826 284 HB2 ALA 45 2HB ALA 45 9.129 1.328 2.178 285 HB3 ALA 45 3HB ALA 45 7.608 1.876 2.883 286 H CYS 46 H CYS 46 5.237 0.594 1.952 287 HA CYS 46 HA CYS 46 4.219 -0.170 4.531 288 HB2 CYS 46 1HB CYS 46 2.888 0.965 2.068 289 HB3 CYS 46 2HB CYS 46 2.028 0.621 3.565 290 H VAL 47 H VAL 47 3.637 -1.213 1.180 291 HA VAL 47 HA VAL 47 1.998 -3.431 2.049 292 HB VAL 47 HB VAL 47 1.910 -4.019 -0.357 293 HG11 VAL 47 1HG1 VAL 47 1.358 -1.085 -0.083 294 HG12 VAL 47 2HG1 VAL 47 0.432 -2.313 -0.948 295 HG13 VAL 47 3HG1 VAL 47 0.424 -2.281 0.816 296 HG21 VAL 47 1HG2 VAL 47 3.061 -1.555 -1.343 297 HG22 VAL 47 2HG2 VAL 47 4.260 -2.544 -0.509 298 HG23 VAL 47 3HG2 VAL 47 3.347 -3.217 -1.859 299 H GLY 48 H GLY 48 4.689 -3.429 3.052 300 HA2 GLY 48 1HA GLY 48 6.645 -4.696 3.056 301 HA3 GLY 48 2HA GLY 48 5.450 -5.985 3.079 302 H LEU 49 H LEU 49 6.424 -3.746 0.493 303 HA LEU 49 HA LEU 49 7.058 -6.102 -1.158 304 HB2 LEU 49 1HB LEU 49 5.674 -3.546 -1.742 305 HB3 LEU 49 2HB LEU 49 6.694 -4.222 -3.010 306 HG LEU 49 HG LEU 49 4.298 -5.535 -1.731 307 HD11 LEU 49 1HD1 LEU 49 4.576 -3.746 -3.919 308 HD12 LEU 49 2HD1 LEU 49 3.125 -4.561 -3.336 309 HD13 LEU 49 3HD1 LEU 49 4.142 -5.334 -4.551 310 HD21 LEU 49 1HD2 LEU 49 6.411 -6.565 -3.580 311 HD22 LEU 49 2HD2 LEU 49 4.762 -7.183 -3.684 312 HD23 LEU 49 3HD2 LEU 49 5.670 -7.341 -2.180 313 H THR 50 H THR 50 9.126 -6.348 -1.648 314 HA THR 50 HA THR 50 11.003 -4.185 -1.193 315 HB THR 50 HB THR 50 11.570 -6.997 -2.149 316 HG1 THR 50 1HG THR 50 12.239 -7.108 0.204 317 HG21 THR 50 1HG2 THR 50 13.739 -6.455 -2.154 318 HG22 THR 50 2HG2 THR 50 13.613 -5.649 -0.590 319 HG23 THR 50 3HG2 THR 50 13.223 -4.771 -2.069 320 H THR 51 H THR 51 9.569 -5.903 -3.874 321 HA THR 51 HA THR 51 10.789 -3.980 -5.710 322 HB THR 51 HB THR 51 11.292 -5.738 -7.362 323 HG1 THR 51 1HG THR 51 11.041 -7.688 -5.342 324 HG21 THR 51 1HG2 THR 51 12.639 -5.517 -4.750 325 HG22 THR 51 2HG2 THR 51 13.285 -5.323 -6.380 326 HG23 THR 51 3HG2 THR 51 13.067 -6.937 -5.704 327 H LYS 52 H LYS 52 9.762 -4.174 -7.938 328 HA LYS 52 HA LYS 52 6.920 -4.053 -7.621 329 HB2 LYS 52 1HB LYS 52 8.421 -2.641 -9.176 330 HB3 LYS 52 2HB LYS 52 8.358 -4.022 -10.263 331 HG2 LYS 52 1HG LYS 52 5.904 -3.855 -10.298 332 HG3 LYS 52 2HG LYS 52 6.006 -2.428 -9.264 333 HD2 LYS 52 1HD LYS 52 6.987 -1.137 -10.937 334 HD3 LYS 52 2HD LYS 52 7.498 -2.551 -11.861 335 HE2 LYS 52 1HE LYS 52 4.611 -1.816 -11.433 336 HE3 LYS 52 2HE LYS 52 5.553 -1.249 -12.810 337 HZ1 LYS 52 1HZ LYS 52 5.650 -4.105 -12.338 338 HZ2 LYS 52 2HZ LYS 52 5.483 -3.252 -13.789 339 HZ3 LYS 52 3HZ LYS 52 4.135 -3.510 -12.800 340 HA PRO 53 HA PRO 53 6.421 -8.434 -8.447 341 HB2 PRO 53 1HB PRO 53 3.753 -8.466 -7.949 342 HB3 PRO 53 2HB PRO 53 4.969 -8.469 -6.667 343 HG2 PRO 53 1HG PRO 53 3.372 -6.184 -7.757 344 HG3 PRO 53 2HG PRO 53 3.757 -6.576 -6.071 345 HD2 PRO 53 1HD PRO 53 5.095 -4.682 -7.468 346 HD3 PRO 53 2HD PRO 53 5.870 -5.666 -6.210 347 H ARG 54 H ARG 54 6.125 -9.357 -10.374 348 HA ARG 54 HA ARG 54 4.953 -7.870 -12.537 349 HB2 ARG 54 1HB ARG 54 6.958 -9.612 -12.500 350 HB3 ARG 54 2HB ARG 54 5.659 -10.751 -12.826 351 HG2 ARG 54 1HG ARG 54 6.231 -10.242 -14.957 352 HG3 ARG 54 2HG ARG 54 5.055 -8.956 -14.678 353 HD2 ARG 54 1HD ARG 54 7.070 -7.576 -13.875 354 HD3 ARG 54 2HD ARG 54 8.050 -8.804 -14.675 355 HE ARG 54 HE ARG 54 7.411 -7.951 -16.708 356 HH11 ARG 54 2HH1 ARG 54 5.384 -6.631 -14.204 357 HH12 ARG 54 1HH1 ARG 54 4.638 -5.463 -15.243 358 HH21 ARG 54 2HH2 ARG 54 6.435 -6.417 -18.086 359 HH22 ARG 54 1HH2 ARG 54 5.235 -5.343 -17.451 360 H GLY 55 H GLY 55 3.104 -8.367 -13.708 361 HA2 GLY 55 1HA GLY 55 1.168 -9.616 -14.226 362 HA3 GLY 55 2HA GLY 55 1.412 -10.558 -12.762 363 H LYS 56 H LYS 56 -0.278 -10.293 -11.471 364 HA LYS 56 HA LYS 56 -1.411 -7.588 -11.188 365 HB2 LYS 56 1HB LYS 56 -3.496 -8.719 -10.462 366 HB3 LYS 56 2HB LYS 56 -3.035 -9.123 -12.110 367 HG2 LYS 56 1HG LYS 56 -1.861 -11.159 -10.912 368 HG3 LYS 56 2HG LYS 56 -3.076 -10.823 -9.677 369 HD2 LYS 56 1HD LYS 56 -3.977 -10.939 -12.505 370 HD3 LYS 56 2HD LYS 56 -3.544 -12.460 -11.720 371 HE2 LYS 56 1HE LYS 56 -5.089 -11.836 -9.853 372 HE3 LYS 56 2HE LYS 56 -5.610 -10.458 -10.822 373 HZ1 LYS 56 1HZ LYS 56 -7.170 -12.079 -11.298 374 HZ2 LYS 56 2HZ LYS 56 -6.035 -13.332 -11.324 375 HZ3 LYS 56 3HZ LYS 56 -6.097 -12.221 -12.598 376 H TRP 57 H TRP 57 -2.049 -6.892 -9.095 377 HA TRP 57 HA TRP 57 -1.100 -8.469 -6.826 378 HB2 TRP 57 1HB TRP 57 0.829 -7.134 -7.275 379 HB3 TRP 57 2HB TRP 57 -0.148 -5.687 -7.507 380 HD1 TRP 57 HD TRP 57 1.360 -7.876 -4.771 381 HE1 TRP 57 1HE TRP 57 1.198 -6.628 -2.526 382 HE3 TRP 57 3HE TRP 57 -1.548 -3.937 -6.242 383 HZ2 TRP 57 2HZ TRP 57 -0.005 -4.284 -1.513 384 HZ3 TRP 57 3HZ TRP 57 -2.160 -2.236 -4.573 385 HH2 TRP 57 HH TRP 57 -1.404 -2.407 -2.258 386 H PHE 58 H PHE 58 -2.455 -8.368 -5.147 387 HA PHE 58 HA PHE 58 -4.554 -6.306 -5.208 388 HB2 PHE 58 1HB PHE 58 -4.626 -8.996 -3.827 389 HB3 PHE 58 2HB PHE 58 -5.962 -7.860 -3.983 390 HD1 PHE 58 1HD PHE 58 -3.628 -9.930 -6.001 391 HD2 PHE 58 2HD PHE 58 -7.426 -8.023 -5.772 392 HE1 PHE 58 1HE PHE 58 -4.296 -11.014 -8.107 393 HE2 PHE 58 2HE PHE 58 -8.100 -9.105 -7.876 394 HZ PHE 58 HZ PHE 58 -6.535 -10.603 -9.046 395 H CYS 59 H CYS 59 -4.513 -4.798 -3.688 396 HA CYS 59 HA CYS 59 -2.571 -4.550 -1.737 397 HB2 CYS 59 1HB CYS 59 -3.820 -2.723 -0.874 398 HB3 CYS 59 2HB CYS 59 -4.149 -2.759 -2.603 399 HA PRO 60 HA PRO 60 -3.683 -7.172 1.602 400 HB2 PRO 60 1HB PRO 60 -2.845 -5.702 3.725 401 HB3 PRO 60 2HB PRO 60 -1.731 -6.509 2.615 402 HG2 PRO 60 1HG PRO 60 -2.589 -3.641 2.687 403 HG3 PRO 60 2HG PRO 60 -0.970 -4.319 2.434 404 HD2 PRO 60 1HD PRO 60 -2.514 -3.435 0.393 405 HD3 PRO 60 2HD PRO 60 -1.374 -4.784 0.213 406 H ARG 61 H ARG 61 -5.416 -4.526 0.845 407 HA ARG 61 HA ARG 61 -7.099 -4.635 3.254 408 HB2 ARG 61 1HB ARG 61 -6.907 -2.553 1.072 409 HB3 ARG 61 2HB ARG 61 -8.096 -2.517 2.368 410 HG2 ARG 61 1HG ARG 61 -6.291 -2.377 4.015 411 HG3 ARG 61 2HG ARG 61 -5.106 -2.394 2.706 412 HD2 ARG 61 1HD ARG 61 -5.314 -0.135 3.152 413 HD3 ARG 61 2HD ARG 61 -6.440 -0.358 1.814 414 HE ARG 61 HE ARG 61 -7.826 -0.698 4.227 415 HH11 ARG 61 2HH1 ARG 61 -6.252 1.797 2.379 416 HH12 ARG 61 1HH1 ARG 61 -7.260 3.067 2.991 417 HH21 ARG 61 2HH2 ARG 61 -9.159 0.964 5.041 418 HH22 ARG 61 1HH2 ARG 61 -8.912 2.592 4.506 419 H CYS 62 H CYS 62 -6.950 -5.463 -0.065 420 HA CYS 62 HA CYS 62 -9.852 -5.794 -0.258 421 HB2 CYS 62 1HB CYS 62 -7.648 -5.990 -2.315 422 HB3 CYS 62 2HB CYS 62 -9.330 -6.382 -2.657 423 H SER 63 H SER 63 -6.912 -7.703 -0.915 424 HA SER 63 HA SER 63 -7.980 -10.159 -1.387 425 HB2 SER 63 1HB SER 63 -5.629 -9.965 -1.534 426 HB3 SER 63 2HB SER 63 -5.490 -9.388 0.127 427 HG SER 63 HG SER 63 -5.286 -11.385 0.710 428 H GLN 64 H GLN 64 -7.427 -8.693 1.789 429 HA GLN 64 HA GLN 64 -8.388 -10.956 3.246 430 HB2 GLN 64 1HB GLN 64 -8.361 -9.394 5.189 431 HB3 GLN 64 2HB GLN 64 -6.834 -9.469 4.320 432 HG2 GLN 64 1HG GLN 64 -6.964 -7.232 4.499 433 HG3 GLN 64 2HG GLN 64 -7.949 -7.403 3.047 434 HE21 GLN 64 1HE2 GLN 64 -8.270 -7.473 6.579 435 HE22 GLN 64 2HE2 GLN 64 -9.769 -6.617 6.632 436 H GLU 65 H GLU 65 -10.342 -10.904 1.638 437 HA GLU 65 HA GLU 65 -12.493 -9.250 2.772 438 HB2 GLU 65 1HB GLU 65 -12.033 -9.095 0.307 439 HB3 GLU 65 2HB GLU 65 -12.518 -10.779 0.167 440 HG2 GLU 65 1HG GLU 65 -14.284 -9.135 -0.432 441 HG3 GLU 65 2HG GLU 65 -14.744 -10.281 0.826 442 H SER 66 H SER 66 -14.364 -10.166 3.539 443 HA SER 66 HA SER 66 -14.163 -12.881 4.448 444 HB2 SER 66 1HB SER 66 -16.182 -10.682 4.792 445 HB3 SER 66 2HB SER 66 -16.563 -12.329 5.294 446 HG SER 66 HG SER 66 -14.958 -10.481 6.482 447 H GLY 67 H GLY 67 -14.352 -14.373 2.859 448 HA2 GLY 67 1HA GLY 67 -16.971 -14.676 1.644 449 HA3 GLY 67 2HA GLY 67 -15.654 -14.401 0.514 450 HA PRO 68 HA PRO 68 -15.989 -18.958 1.050 451 HB2 PRO 68 1HB PRO 68 -15.489 -19.518 -1.559 452 HB3 PRO 68 2HB PRO 68 -17.103 -19.130 -0.952 453 HG2 PRO 68 1HG PRO 68 -15.130 -17.365 -2.350 454 HG3 PRO 68 2HG PRO 68 -16.882 -17.495 -2.591 455 HD2 PRO 68 1HD PRO 68 -15.755 -15.504 -1.143 456 HD3 PRO 68 2HD PRO 68 -17.359 -16.167 -0.769 457 H SER 69 H SER 69 -13.578 -16.741 0.356 458 HA SER 69 HA SER 69 -11.425 -18.091 -0.628 459 HB2 SER 69 1HB SER 69 -11.288 -15.739 -0.046 460 HB3 SER 69 2HB SER 69 -11.460 -16.118 1.667 461 HG SER 69 HG SER 69 -9.467 -17.296 1.476 462 H SER 70 H SER 70 -11.187 -20.218 -0.119 463 HA SER 70 HA SER 70 -10.730 -20.873 2.717 464 HB2 SER 70 1HB SER 70 -12.657 -22.021 1.524 465 HB3 SER 70 2HB SER 70 -11.445 -22.842 0.541 466 HG SER 70 HG SER 70 -11.974 -24.132 2.303 467 H GLY 71 H GLY 71 -9.053 -22.414 3.204 468 HA2 GLY 71 1HA GLY 71 -7.120 -23.037 1.132 469 HA3 GLY 71 2HA GLY 71 -6.567 -21.886 2.340 Start of MODEL 2 1 H1 GLY 1 H GLY 1 28.735 12.232 11.647 2 HA2 GLY 1 1HA GLY 1 28.941 13.112 14.458 3 HA3 GLY 1 2HA GLY 1 28.345 14.116 13.144 4 H SER 2 H SER 2 27.086 13.375 15.702 5 HA SER 2 HA SER 2 24.675 12.061 14.629 6 HB2 SER 2 1HB SER 2 24.220 11.305 16.959 7 HB3 SER 2 2HB SER 2 25.710 10.632 16.298 8 HG SER 2 HG SER 2 25.336 12.448 18.362 9 H SER 3 H SER 3 23.162 13.542 14.285 10 HA SER 3 HA SER 3 22.830 15.693 16.273 11 HB2 SER 3 1HB SER 3 22.520 15.738 13.275 12 HB3 SER 3 2HB SER 3 21.758 16.953 14.300 13 HG SER 3 HG SER 3 24.449 16.454 14.762 14 H GLY 4 H GLY 4 20.528 16.642 16.155 15 HA2 GLY 4 1HA GLY 4 18.597 14.422 15.875 16 HA3 GLY 4 2HA GLY 4 18.573 15.514 17.251 17 H SER 5 H SER 5 16.285 15.237 15.883 18 HA SER 5 HA SER 5 16.131 17.624 14.163 19 HB2 SER 5 1HB SER 5 14.030 16.613 13.275 20 HB3 SER 5 2HB SER 5 15.456 15.619 12.977 21 HG SER 5 HG SER 5 13.424 14.614 13.887 22 H SER 6 H SER 6 13.958 18.739 14.258 23 HA SER 6 HA SER 6 13.281 19.164 17.071 24 HB2 SER 6 1HB SER 6 12.247 21.258 16.301 25 HB3 SER 6 2HB SER 6 13.916 21.137 15.746 26 HG SER 6 HG SER 6 11.599 20.535 14.218 27 H GLY 7 H GLY 7 11.710 18.557 13.945 28 HA2 GLY 7 1HA GLY 7 9.734 16.873 15.019 29 HA3 GLY 7 2HA GLY 7 9.063 18.491 14.881 30 H ASP 8 H ASP 8 8.133 16.199 13.482 31 HA ASP 8 HA ASP 8 8.859 16.901 10.713 32 HB2 ASP 8 1HB ASP 8 7.853 14.274 11.825 33 HB3 ASP 8 2HB ASP 8 8.072 14.611 10.110 34 H MET 9 H MET 9 7.339 18.518 10.430 35 HA MET 9 HA MET 9 4.805 18.828 11.189 36 HB2 MET 9 1HB MET 9 4.295 19.831 8.972 37 HB3 MET 9 2HB MET 9 5.823 20.378 9.649 38 HG2 MET 9 1HG MET 9 5.772 18.084 7.743 39 HG3 MET 9 2HG MET 9 5.667 19.738 7.144 40 HE1 MET 9 1HE MET 9 8.420 21.118 6.708 41 HE2 MET 9 2HE MET 9 7.065 21.512 7.766 42 HE3 MET 9 3HE MET 9 8.704 21.450 8.418 43 HA PRO 10 HA PRO 10 2.607 15.155 10.053 44 HB2 PRO 10 1HB PRO 10 0.117 16.064 10.635 45 HB3 PRO 10 2HB PRO 10 1.278 15.582 11.878 46 HG2 PRO 10 1HG PRO 10 0.584 18.324 10.894 47 HG3 PRO 10 2HG PRO 10 0.839 17.763 12.557 48 HD2 PRO 10 1HD PRO 10 2.738 19.098 11.164 49 HD3 PRO 10 2HD PRO 10 3.134 17.859 12.372 50 H VAL 11 H VAL 11 0.426 14.744 8.810 51 HA VAL 11 HA VAL 11 0.808 15.623 6.157 52 HB VAL 11 HB VAL 11 -1.349 14.509 5.672 53 HG11 VAL 11 1HG1 VAL 11 -0.563 12.255 6.899 54 HG12 VAL 11 2HG1 VAL 11 0.249 12.919 5.480 55 HG13 VAL 11 3HG1 VAL 11 0.898 13.223 7.092 56 HG21 VAL 11 1HG2 VAL 11 -1.781 14.967 8.446 57 HG22 VAL 11 2HG2 VAL 11 -2.898 14.307 7.251 58 HG23 VAL 11 3HG2 VAL 11 -1.832 13.229 8.153 59 H ASP 12 H ASP 12 -1.243 16.443 4.896 60 HA ASP 12 HA ASP 12 -2.600 18.577 6.363 61 HB2 ASP 12 1HB ASP 12 -1.453 19.283 3.699 62 HB3 ASP 12 2HB ASP 12 -1.829 20.324 5.070 63 HA PRO 13 HA PRO 13 -6.066 17.368 3.952 64 HB2 PRO 13 1HB PRO 13 -7.480 19.685 3.929 65 HB3 PRO 13 2HB PRO 13 -7.332 18.664 5.364 66 HG2 PRO 13 1HG PRO 13 -5.827 21.150 4.645 67 HG3 PRO 13 2HG PRO 13 -6.513 20.671 6.208 68 HD2 PRO 13 1HD PRO 13 -3.882 20.403 5.629 69 HD3 PRO 13 2HD PRO 13 -4.742 19.280 6.702 70 H ASN 14 H ASN 14 -3.773 19.560 2.854 71 HA ASN 14 HA ASN 14 -5.125 20.233 0.377 72 HB2 ASN 14 1HB ASN 14 -2.556 20.995 1.684 73 HB3 ASN 14 2HB ASN 14 -2.656 21.130 -0.069 74 HD21 ASN 14 1HD2 ASN 14 -2.437 23.387 0.133 75 HD22 ASN 14 2HD2 ASN 14 -3.771 24.374 0.614 76 H GLU 15 H GLU 15 -2.163 18.474 1.299 77 HA GLU 15 HA GLU 15 -1.743 17.427 -1.318 78 HB2 GLU 15 1HB GLU 15 -0.520 17.045 1.366 79 HB3 GLU 15 2HB GLU 15 -0.263 15.778 0.175 80 HG2 GLU 15 1HG GLU 15 1.554 17.092 -0.221 81 HG3 GLU 15 2HG GLU 15 0.407 17.788 -1.364 82 HA PRO 16 HA PRO 16 -4.645 14.097 -1.197 83 HB2 PRO 16 1HB PRO 16 -3.672 12.699 -3.311 84 HB3 PRO 16 2HB PRO 16 -4.601 14.192 -3.492 85 HG2 PRO 16 1HG PRO 16 -1.637 13.782 -3.583 86 HG3 PRO 16 2HG PRO 16 -2.660 14.781 -4.631 87 HD2 PRO 16 1HD PRO 16 -1.202 15.821 -2.601 88 HD3 PRO 16 2HD PRO 16 -2.762 16.504 -3.104 89 H THR 17 H THR 17 -4.740 12.201 -0.143 90 HA THR 17 HA THR 17 -2.222 10.732 0.297 91 HB THR 17 HB THR 17 -3.331 9.986 2.489 92 HG1 THR 17 1HG THR 17 -5.292 10.752 2.708 93 HG21 THR 17 1HG2 THR 17 -1.537 11.323 2.922 94 HG22 THR 17 2HG2 THR 17 -2.810 12.412 3.471 95 HG23 THR 17 3HG2 THR 17 -2.107 12.615 1.867 96 H TYR 18 H TYR 18 -2.229 8.700 -0.396 97 HA TYR 18 HA TYR 18 -4.812 7.444 -1.018 98 HB2 TYR 18 1HB TYR 18 -2.061 6.694 -2.027 99 HB3 TYR 18 2HB TYR 18 -3.595 6.026 -2.574 100 HD1 TYR 18 1HD TYR 18 -1.664 9.202 -2.396 101 HD2 TYR 18 2HD TYR 18 -4.744 7.015 -4.354 102 HE1 TYR 18 1HE TYR 18 -1.804 10.952 -4.118 103 HE2 TYR 18 2HE TYR 18 -4.892 8.758 -6.082 104 HH TYR 18 HH TYR 18 -4.229 10.802 -6.696 105 H CYS 19 H CYS 19 -1.579 6.180 -0.215 106 HA CYS 19 HA CYS 19 -2.209 3.776 0.825 107 HB2 CYS 19 1HB CYS 19 0.088 4.451 0.698 108 HB3 CYS 19 2HB CYS 19 -0.170 5.750 1.858 109 H LEU 20 H LEU 20 -2.409 2.974 3.049 110 HA LEU 20 HA LEU 20 -4.590 4.136 4.385 111 HB2 LEU 20 1HB LEU 20 -2.592 2.132 5.422 112 HB3 LEU 20 2HB LEU 20 -4.164 2.481 6.137 113 HG LEU 20 HG LEU 20 -5.011 1.761 3.732 114 HD11 LEU 20 1HD1 LEU 20 -3.438 -0.345 3.286 115 HD12 LEU 20 2HD1 LEU 20 -2.224 0.781 3.893 116 HD13 LEU 20 3HD1 LEU 20 -3.200 1.211 2.488 117 HD21 LEU 20 1HD2 LEU 20 -5.963 0.342 5.156 118 HD22 LEU 20 2HD2 LEU 20 -4.590 0.420 6.261 119 HD23 LEU 20 3HD2 LEU 20 -4.572 -0.714 4.909 120 H CYS 21 H CYS 21 -1.118 4.187 5.074 121 HA CYS 21 HA CYS 21 -1.156 5.432 7.551 122 HB2 CYS 21 1HB CYS 21 1.123 6.107 7.105 123 HB3 CYS 21 2HB CYS 21 0.866 4.496 6.443 124 H HIS 22 H HIS 22 -2.226 6.647 4.596 125 HA HIS 22 HA HIS 22 -3.068 8.665 3.965 126 HB2 HIS 22 1HB HIS 22 -2.673 9.381 6.877 127 HB3 HIS 22 2HB HIS 22 -3.597 10.326 5.713 128 HD1 HIS 22 1HD HIS 22 -5.572 8.678 4.502 129 HD2 HIS 22 2HD HIS 22 -4.291 7.825 8.361 130 HE1 HIS 22 1HE HIS 22 -7.395 7.277 5.521 131 HE2 HIS 22 2HE HIS 22 -6.637 6.844 7.884 132 H GLN 23 H GLN 23 -0.588 8.352 3.175 133 HA GLN 23 HA GLN 23 0.782 10.874 3.842 134 HB2 GLN 23 1HB GLN 23 1.885 8.169 3.121 135 HB3 GLN 23 2HB GLN 23 2.848 9.630 2.948 136 HG2 GLN 23 1HG GLN 23 1.519 9.134 5.554 137 HG3 GLN 23 2HG GLN 23 2.924 8.156 5.131 138 HE21 GLN 23 1HE2 GLN 23 1.778 11.458 5.530 139 HE22 GLN 23 2HE2 GLN 23 3.318 12.142 5.909 140 H VAL 24 H VAL 24 2.262 11.605 1.998 141 HA VAL 24 HA VAL 24 0.635 11.988 -0.322 142 HB VAL 24 HB VAL 24 2.295 13.469 -1.108 143 HG11 VAL 24 1HG1 VAL 24 2.143 13.497 1.895 144 HG12 VAL 24 2HG1 VAL 24 2.921 14.782 0.969 145 HG13 VAL 24 3HG1 VAL 24 1.204 14.445 0.742 146 HG21 VAL 24 1HG2 VAL 24 4.572 13.543 0.035 147 HG22 VAL 24 2HG2 VAL 24 4.171 11.954 0.687 148 HG23 VAL 24 3HG2 VAL 24 4.269 12.192 -1.058 149 H SER 25 H SER 25 1.530 11.676 -2.550 150 HA SER 25 HA SER 25 2.195 8.924 -2.919 151 HB2 SER 25 1HB SER 25 1.580 11.238 -4.686 152 HB3 SER 25 2HB SER 25 2.475 9.896 -5.398 153 HG SER 25 HG SER 25 0.668 8.629 -4.245 154 H TYR 26 H TYR 26 4.211 8.565 -2.007 155 HA TYR 26 HA TYR 26 6.464 9.719 -3.508 156 HB2 TYR 26 1HB TYR 26 7.778 9.912 -1.522 157 HB3 TYR 26 2HB TYR 26 6.232 10.684 -1.190 158 HD1 TYR 26 1HD TYR 26 8.048 7.461 -0.742 159 HD2 TYR 26 2HD TYR 26 5.009 10.070 0.695 160 HE1 TYR 26 1HE TYR 26 7.771 6.035 1.243 161 HE2 TYR 26 2HE TYR 26 4.725 8.652 2.685 162 HH TYR 26 HH TYR 26 6.677 5.718 3.144 163 H GLY 27 H GLY 27 8.518 8.370 -3.121 164 HA2 GLY 27 1HA GLY 27 9.563 6.375 -3.586 165 HA3 GLY 27 2HA GLY 27 8.552 5.745 -2.294 166 H GLU 28 H GLU 28 9.038 3.878 -3.957 167 HA GLU 28 HA GLU 28 7.527 3.780 -6.344 168 HB2 GLU 28 1HB GLU 28 8.834 1.702 -4.615 169 HB3 GLU 28 2HB GLU 28 7.830 1.226 -5.978 170 HG2 GLU 28 1HG GLU 28 10.284 2.964 -6.110 171 HG3 GLU 28 2HG GLU 28 10.179 1.270 -6.587 172 H MET 29 H MET 29 5.495 3.076 -6.780 173 HA MET 29 HA MET 29 3.882 2.027 -4.565 174 HB2 MET 29 1HB MET 29 2.962 4.215 -6.436 175 HB3 MET 29 2HB MET 29 2.027 3.497 -5.131 176 HG2 MET 29 1HG MET 29 3.638 4.379 -3.508 177 HG3 MET 29 2HG MET 29 4.538 5.127 -4.826 178 HE1 MET 29 1HE MET 29 1.365 4.636 -3.085 179 HE2 MET 29 2HE MET 29 1.326 6.222 -2.315 180 HE3 MET 29 3HE MET 29 0.262 5.878 -3.679 181 H ILE 30 H ILE 30 1.789 1.099 -5.348 182 HA ILE 30 HA ILE 30 2.014 0.060 -8.093 183 HB ILE 30 HB ILE 30 1.589 -2.130 -7.478 184 HG12 ILE 30 1HG1 ILE 30 -0.364 -1.694 -6.070 185 HG13 ILE 30 2HG1 ILE 30 0.730 -2.820 -5.274 186 HG21 ILE 30 1HG2 ILE 30 3.116 -2.651 -5.557 187 HG22 ILE 30 2HG2 ILE 30 3.817 -1.630 -6.811 188 HG23 ILE 30 3HG2 ILE 30 3.269 -0.914 -5.296 189 HD11 ILE 30 1HD1 ILE 30 1.639 -0.864 -3.993 190 HD12 ILE 30 2HD1 ILE 30 0.309 0.087 -4.657 191 HD13 ILE 30 3HD1 ILE 30 -0.029 -1.306 -3.631 192 H GLY 31 H GLY 31 -0.063 -0.875 -8.898 193 HA2 GLY 31 1HA GLY 31 -2.343 0.665 -7.815 194 HA3 GLY 31 2HA GLY 31 -2.104 0.361 -9.529 195 H CYS 32 H CYS 32 -3.642 -0.671 -6.733 196 HA CYS 32 HA CYS 32 -3.817 -3.390 -6.836 197 HB2 CYS 32 1HB CYS 32 -4.989 -1.844 -5.220 198 HB3 CYS 32 2HB CYS 32 -6.223 -1.603 -6.452 199 H ASP 33 H ASP 33 -5.345 -4.866 -7.780 200 HA ASP 33 HA ASP 33 -5.931 -4.177 -10.553 201 HB2 ASP 33 1HB ASP 33 -4.866 -6.235 -10.517 202 HB3 ASP 33 2HB ASP 33 -5.657 -6.735 -9.025 203 H ASN 34 H ASN 34 -7.561 -5.092 -7.582 204 HA ASN 34 HA ASN 34 -10.089 -5.701 -8.494 205 HB2 ASN 34 1HB ASN 34 -9.097 -5.603 -6.069 206 HB3 ASN 34 2HB ASN 34 -9.777 -3.978 -6.062 207 HD21 ASN 34 1HD2 ASN 34 -11.399 -4.266 -4.643 208 HD22 ASN 34 2HD2 ASN 34 -12.726 -5.346 -4.884 209 HA PRO 35 HA PRO 35 -11.317 -1.918 -10.477 210 HB2 PRO 35 1HB PRO 35 -13.858 -2.691 -11.038 211 HB3 PRO 35 2HB PRO 35 -12.458 -3.253 -11.959 212 HG2 PRO 35 1HG PRO 35 -13.958 -4.630 -9.765 213 HG3 PRO 35 2HG PRO 35 -13.350 -5.294 -11.293 214 HD2 PRO 35 1HD PRO 35 -12.061 -5.642 -8.937 215 HD3 PRO 35 2HD PRO 35 -11.203 -5.518 -10.486 216 H ASP 36 H ASP 36 -12.759 -3.351 -7.678 217 HA ASP 36 HA ASP 36 -14.595 -1.173 -7.194 218 HB2 ASP 36 1HB ASP 36 -14.916 -3.625 -6.493 219 HB3 ASP 36 2HB ASP 36 -13.787 -3.270 -5.188 220 H CYS 37 H CYS 37 -11.434 -2.216 -6.057 221 HA CYS 37 HA CYS 37 -10.975 -0.781 -3.824 222 HB2 CYS 37 1HB CYS 37 -9.350 -2.157 -5.368 223 HB3 CYS 37 2HB CYS 37 -8.928 -0.568 -6.000 224 H SER 38 H SER 38 -11.087 1.271 -3.204 225 HA SER 38 HA SER 38 -11.672 3.325 -5.152 226 HB2 SER 38 1HB SER 38 -11.402 3.512 -2.141 227 HB3 SER 38 2HB SER 38 -12.041 4.770 -3.199 228 HG SER 38 HG SER 38 -13.218 2.433 -2.306 229 H ILE 39 H ILE 39 -9.108 2.614 -2.814 230 HA ILE 39 HA ILE 39 -7.574 4.939 -3.405 231 HB ILE 39 HB ILE 39 -6.783 2.340 -2.088 232 HG12 ILE 39 1HG1 ILE 39 -7.150 5.030 -0.786 233 HG13 ILE 39 2HG1 ILE 39 -8.503 3.927 -1.012 234 HG21 ILE 39 1HG2 ILE 39 -5.116 4.360 -3.141 235 HG22 ILE 39 2HG2 ILE 39 -5.083 4.519 -1.385 236 HG23 ILE 39 3HG2 ILE 39 -4.660 2.982 -2.139 237 HD11 ILE 39 1HD1 ILE 39 -6.126 2.750 0.242 238 HD12 ILE 39 2HD1 ILE 39 -6.947 3.996 1.182 239 HD13 ILE 39 3HD1 ILE 39 -7.834 2.571 0.641 240 H GLU 40 H GLU 40 -6.710 1.528 -3.995 241 HA GLU 40 HA GLU 40 -5.576 0.516 -5.688 242 HB2 GLU 40 1HB GLU 40 -6.028 2.779 -7.565 243 HB3 GLU 40 2HB GLU 40 -6.174 1.049 -7.837 244 HG2 GLU 40 1HG GLU 40 -8.210 1.318 -6.180 245 HG3 GLU 40 2HG GLU 40 -8.157 2.978 -6.769 246 H TRP 41 H TRP 41 -4.171 2.235 -3.889 247 HA TRP 41 HA TRP 41 -1.712 2.479 -5.326 248 HB2 TRP 41 1HB TRP 41 -3.217 4.963 -4.530 249 HB3 TRP 41 2HB TRP 41 -1.462 4.960 -4.679 250 HD1 TRP 41 HD TRP 41 -4.547 5.396 -6.689 251 HE1 TRP 41 1HE TRP 41 -3.971 5.531 -9.194 252 HE3 TRP 41 3HE TRP 41 0.312 3.820 -6.491 253 HZ2 TRP 41 2HZ TRP 41 -1.751 5.034 -10.865 254 HZ3 TRP 41 3HZ TRP 41 1.592 3.677 -8.587 255 HH2 TRP 41 HH TRP 41 0.580 4.271 -10.728 256 H PHE 42 H PHE 42 -0.220 1.813 -3.942 257 HA PHE 42 HA PHE 42 -0.275 2.746 -1.180 258 HB2 PHE 42 1HB PHE 42 -0.061 -0.194 -1.852 259 HB3 PHE 42 2HB PHE 42 -0.042 0.522 -0.244 260 HD1 PHE 42 1HD PHE 42 -2.181 0.162 -3.262 261 HD2 PHE 42 2HD PHE 42 -2.013 0.748 0.951 262 HE1 PHE 42 1HE PHE 42 -4.627 -0.071 -3.135 263 HE2 PHE 42 2HE PHE 42 -4.459 0.514 1.084 264 HZ PHE 42 HZ PHE 42 -5.769 0.103 -0.960 265 H HIS 43 H HIS 43 1.749 2.394 -0.051 266 HA HIS 43 HA HIS 43 4.005 2.613 -1.865 267 HB2 HIS 43 1HB HIS 43 4.041 2.797 1.149 268 HB3 HIS 43 2HB HIS 43 5.251 3.404 0.023 269 HD2 HIS 43 2HD HIS 43 3.839 5.432 -1.816 270 HE1 HIS 43 1HE HIS 43 1.725 6.883 1.564 271 HE2 HIS 43 2HE HIS 43 2.357 7.312 -0.835 272 H PHE 44 H PHE 44 5.790 1.268 -1.896 273 HA PHE 44 HA PHE 44 5.374 -1.459 -1.529 274 HB2 PHE 44 1HB PHE 44 7.820 0.222 -1.948 275 HB3 PHE 44 2HB PHE 44 7.992 -1.496 -1.607 276 HD1 PHE 44 2HD PHE 44 5.414 0.256 -3.628 277 HD2 PHE 44 1HD PHE 44 8.719 -2.425 -3.601 278 HE1 PHE 44 2HE PHE 44 5.017 -0.251 -6.003 279 HE2 PHE 44 1HE PHE 44 8.329 -2.936 -5.976 280 HZ PHE 44 HZ PHE 44 6.475 -1.849 -7.180 281 H ALA 45 H ALA 45 7.598 0.591 0.366 282 HA ALA 45 HA ALA 45 8.305 -1.154 2.333 283 HB1 ALA 45 1HB ALA 45 8.513 1.595 1.939 284 HB2 ALA 45 2HB ALA 45 7.752 1.415 3.520 285 HB3 ALA 45 3HB ALA 45 9.300 0.637 3.194 286 H CYS 46 H CYS 46 5.453 0.982 2.418 287 HA CYS 46 HA CYS 46 4.429 0.204 4.872 288 HB2 CYS 46 1HB CYS 46 3.277 1.373 2.393 289 HB3 CYS 46 2HB CYS 46 2.145 0.698 3.560 290 H VAL 47 H VAL 47 3.543 -1.090 1.668 291 HA VAL 47 HA VAL 47 2.097 -3.285 2.873 292 HB VAL 47 HB VAL 47 1.724 -4.023 0.530 293 HG11 VAL 47 1HG1 VAL 47 0.274 -2.353 1.760 294 HG12 VAL 47 2HG1 VAL 47 1.094 -1.097 0.830 295 HG13 VAL 47 3HG1 VAL 47 0.155 -2.338 0.000 296 HG21 VAL 47 1HG2 VAL 47 2.444 -1.799 -0.963 297 HG22 VAL 47 2HG2 VAL 47 3.852 -2.118 0.049 298 HG23 VAL 47 3HG2 VAL 47 3.215 -3.384 -0.999 299 H GLY 48 H GLY 48 4.907 -3.153 3.491 300 HA2 GLY 48 1HA GLY 48 6.886 -4.372 3.287 301 HA3 GLY 48 2HA GLY 48 5.748 -5.677 3.587 302 H LEU 49 H LEU 49 6.863 -3.656 0.868 303 HA LEU 49 HA LEU 49 6.913 -6.101 -0.777 304 HB2 LEU 49 1HB LEU 49 5.910 -3.369 -1.337 305 HB3 LEU 49 2HB LEU 49 6.733 -4.208 -2.650 306 HG LEU 49 HG LEU 49 4.267 -5.158 -1.193 307 HD11 LEU 49 1HD1 LEU 49 3.023 -4.326 -2.868 308 HD12 LEU 49 2HD1 LEU 49 4.240 -4.684 -4.093 309 HD13 LEU 49 3HD1 LEU 49 4.393 -3.239 -3.093 310 HD21 LEU 49 1HD2 LEU 49 4.593 -6.642 -3.504 311 HD22 LEU 49 2HD2 LEU 49 4.892 -7.191 -1.854 312 HD23 LEU 49 3HD2 LEU 49 6.219 -6.552 -2.825 313 H THR 50 H THR 50 9.089 -6.511 -0.286 314 HA THR 50 HA THR 50 11.195 -4.699 -0.400 315 HB THR 50 HB THR 50 11.520 -6.910 0.530 316 HG1 THR 50 1HG THR 50 13.402 -7.496 -1.026 317 HG21 THR 50 1HG2 THR 50 11.702 -8.283 -2.071 318 HG22 THR 50 2HG2 THR 50 10.071 -7.854 -1.554 319 HG23 THR 50 3HG2 THR 50 11.087 -8.861 -0.523 320 H THR 51 H THR 51 9.544 -6.415 -2.968 321 HA THR 51 HA THR 51 10.801 -4.692 -4.933 322 HB THR 51 HB THR 51 11.349 -6.664 -6.419 323 HG1 THR 51 1HG THR 51 10.144 -8.176 -5.019 324 HG21 THR 51 1HG2 THR 51 12.924 -6.416 -3.853 325 HG22 THR 51 2HG2 THR 51 13.084 -5.368 -5.263 326 HG23 THR 51 3HG2 THR 51 13.520 -7.072 -5.377 327 H LYS 52 H LYS 52 9.743 -4.761 -7.010 328 HA LYS 52 HA LYS 52 7.008 -4.698 -6.950 329 HB2 LYS 52 1HB LYS 52 8.775 -4.055 -8.817 330 HB3 LYS 52 2HB LYS 52 8.307 -5.617 -9.476 331 HG2 LYS 52 1HG LYS 52 6.126 -4.942 -9.873 332 HG3 LYS 52 2HG LYS 52 6.229 -3.601 -8.729 333 HD2 LYS 52 1HD LYS 52 8.088 -3.541 -11.034 334 HD3 LYS 52 2HD LYS 52 6.379 -3.271 -11.382 335 HE2 LYS 52 1HE LYS 52 6.959 -1.126 -10.927 336 HE3 LYS 52 2HE LYS 52 6.634 -1.652 -9.276 337 HZ1 LYS 52 1HZ LYS 52 8.684 -0.665 -9.082 338 HZ2 LYS 52 2HZ LYS 52 9.220 -1.188 -10.598 339 HZ3 LYS 52 3HZ LYS 52 9.129 -2.281 -9.310 340 HA PRO 53 HA PRO 53 5.937 -8.998 -6.528 341 HB2 PRO 53 1HB PRO 53 3.249 -8.630 -6.623 342 HB3 PRO 53 2HB PRO 53 4.217 -8.276 -5.187 343 HG2 PRO 53 1HG PRO 53 3.190 -6.406 -7.286 344 HG3 PRO 53 2HG PRO 53 3.221 -6.202 -5.525 345 HD2 PRO 53 1HD PRO 53 5.046 -5.047 -7.158 346 HD3 PRO 53 2HD PRO 53 5.440 -5.579 -5.511 347 H ARG 54 H ARG 54 5.834 -10.519 -8.054 348 HA ARG 54 HA ARG 54 5.345 -9.829 -10.788 349 HB2 ARG 54 1HB ARG 54 7.021 -11.509 -10.171 350 HB3 ARG 54 2HB ARG 54 5.760 -12.530 -9.495 351 HG2 ARG 54 1HG ARG 54 4.742 -12.685 -11.747 352 HG3 ARG 54 2HG ARG 54 6.110 -11.772 -12.386 353 HD2 ARG 54 1HD ARG 54 6.648 -14.024 -12.775 354 HD3 ARG 54 2HD ARG 54 7.585 -13.570 -11.352 355 HE ARG 54 HE ARG 54 5.346 -15.416 -11.456 356 HH11 ARG 54 2HH1 ARG 54 7.544 -13.559 -9.497 357 HH12 ARG 54 1HH1 ARG 54 7.289 -14.514 -8.074 358 HH21 ARG 54 2HH2 ARG 54 5.001 -16.681 -9.590 359 HH22 ARG 54 1HH2 ARG 54 5.843 -16.290 -8.129 360 H GLY 55 H GLY 55 3.680 -10.541 -12.139 361 HA2 GLY 55 1HA GLY 55 1.536 -11.142 -12.708 362 HA3 GLY 55 2HA GLY 55 1.544 -12.193 -11.299 363 H LYS 56 H LYS 56 -0.803 -11.181 -11.750 364 HA LYS 56 HA LYS 56 -1.514 -8.645 -11.003 365 HB2 LYS 56 1HB LYS 56 -2.891 -11.283 -10.543 366 HB3 LYS 56 2HB LYS 56 -3.633 -9.759 -10.072 367 HG2 LYS 56 1HG LYS 56 -3.452 -8.993 -12.416 368 HG3 LYS 56 2HG LYS 56 -2.823 -10.584 -12.853 369 HD2 LYS 56 1HD LYS 56 -4.849 -11.616 -12.561 370 HD3 LYS 56 2HD LYS 56 -5.397 -10.441 -11.363 371 HE2 LYS 56 1HE LYS 56 -5.740 -8.787 -13.100 372 HE3 LYS 56 2HE LYS 56 -5.096 -9.891 -14.314 373 HZ1 LYS 56 1HZ LYS 56 -7.048 -11.366 -13.239 374 HZ2 LYS 56 2HZ LYS 56 -7.247 -10.392 -14.607 375 HZ3 LYS 56 3HZ LYS 56 -7.716 -9.819 -13.087 376 H TRP 57 H TRP 57 -1.711 -7.504 -9.148 377 HA TRP 57 HA TRP 57 -1.035 -8.881 -6.633 378 HB2 TRP 57 1HB TRP 57 0.887 -7.578 -7.259 379 HB3 TRP 57 2HB TRP 57 -0.114 -6.168 -7.595 380 HD1 TRP 57 HD TRP 57 1.530 -8.060 -4.736 381 HE1 TRP 57 1HE TRP 57 1.352 -6.653 -2.589 382 HE3 TRP 57 3HE TRP 57 -1.620 -4.404 -6.422 383 HZ2 TRP 57 2HZ TRP 57 0.047 -4.304 -1.724 384 HZ3 TRP 57 3HZ TRP 57 -2.286 -2.613 -4.871 385 HH2 TRP 57 HH TRP 57 -1.469 -2.567 -2.571 386 H PHE 58 H PHE 58 -2.486 -8.657 -5.061 387 HA PHE 58 HA PHE 58 -4.518 -6.545 -5.343 388 HB2 PHE 58 1HB PHE 58 -4.709 -9.237 -3.975 389 HB3 PHE 58 2HB PHE 58 -5.984 -8.023 -3.988 390 HD1 PHE 58 2HD PHE 58 -6.963 -7.337 -6.220 391 HD2 PHE 58 1HD PHE 58 -4.488 -10.764 -5.724 392 HE1 PHE 58 2HE PHE 58 -7.818 -8.257 -8.335 393 HE2 PHE 58 1HE PHE 58 -5.338 -11.689 -7.839 394 HZ PHE 58 HZ PHE 58 -7.006 -10.435 -9.148 395 H CYS 59 H CYS 59 -4.515 -4.976 -3.884 396 HA CYS 59 HA CYS 59 -2.668 -4.633 -1.886 397 HB2 CYS 59 1HB CYS 59 -3.956 -2.807 -1.125 398 HB3 CYS 59 2HB CYS 59 -4.329 -2.939 -2.841 399 HA PRO 60 HA PRO 60 -3.751 -7.203 1.503 400 HB2 PRO 60 1HB PRO 60 -2.991 -5.653 3.599 401 HB3 PRO 60 2HB PRO 60 -1.835 -6.454 2.527 402 HG2 PRO 60 1HG PRO 60 -2.781 -3.614 2.510 403 HG3 PRO 60 2HG PRO 60 -1.138 -4.247 2.299 404 HD2 PRO 60 1HD PRO 60 -2.677 -3.464 0.213 405 HD3 PRO 60 2HD PRO 60 -1.493 -4.781 0.085 406 H ARG 61 H ARG 61 -5.506 -4.552 0.697 407 HA ARG 61 HA ARG 61 -7.233 -4.670 3.070 408 HB2 ARG 61 1HB ARG 61 -6.915 -2.636 0.873 409 HB3 ARG 61 2HB ARG 61 -8.313 -2.631 1.940 410 HG2 ARG 61 1HG ARG 61 -6.866 -2.344 3.869 411 HG3 ARG 61 2HG ARG 61 -5.444 -2.405 2.826 412 HD2 ARG 61 1HD ARG 61 -5.703 -0.141 3.014 413 HD3 ARG 61 2HD ARG 61 -6.688 -0.446 1.584 414 HE ARG 61 HE ARG 61 -7.618 0.341 4.211 415 HH11 ARG 61 2HH1 ARG 61 -8.440 -0.944 1.082 416 HH12 ARG 61 1HH1 ARG 61 -10.114 -0.515 1.201 417 HH21 ARG 61 2HH2 ARG 61 -9.820 0.911 4.379 418 HH22 ARG 61 1HH2 ARG 61 -10.898 0.541 3.076 419 H CYS 62 H CYS 62 -7.034 -5.563 -0.238 420 HA CYS 62 HA CYS 62 -9.922 -6.016 -0.423 421 HB2 CYS 62 1HB CYS 62 -7.720 -6.159 -2.489 422 HB3 CYS 62 2HB CYS 62 -9.395 -6.593 -2.815 423 H SER 63 H SER 63 -6.842 -7.755 -0.700 424 HA SER 63 HA SER 63 -7.963 -10.305 -1.155 425 HB2 SER 63 1HB SER 63 -5.613 -9.801 -1.648 426 HB3 SER 63 2HB SER 63 -5.291 -9.574 0.071 427 HG SER 63 HG SER 63 -6.195 -11.853 0.185 428 H GLN 64 H GLN 64 -7.914 -8.364 1.606 429 HA GLN 64 HA GLN 64 -8.087 -10.617 3.456 430 HB2 GLN 64 1HB GLN 64 -6.741 -8.524 3.962 431 HB3 GLN 64 2HB GLN 64 -8.277 -7.684 4.132 432 HG2 GLN 64 1HG GLN 64 -8.907 -9.268 5.914 433 HG3 GLN 64 2HG GLN 64 -7.315 -10.013 5.777 434 HE21 GLN 64 1HE2 GLN 64 -6.256 -9.479 7.556 435 HE22 GLN 64 2HE2 GLN 64 -6.088 -7.881 8.190 436 H GLU 65 H GLU 65 -10.158 -10.735 1.758 437 HA GLU 65 HA GLU 65 -12.452 -9.267 2.529 438 HB2 GLU 65 1HB GLU 65 -11.922 -11.684 0.874 439 HB3 GLU 65 2HB GLU 65 -13.568 -11.428 1.434 440 HG2 GLU 65 1HG GLU 65 -11.910 -9.630 -0.306 441 HG3 GLU 65 2HG GLU 65 -13.409 -10.463 -0.715 442 H SER 66 H SER 66 -11.376 -12.568 3.309 443 HA SER 66 HA SER 66 -13.538 -13.136 5.050 444 HB2 SER 66 1HB SER 66 -12.191 -14.910 4.011 445 HB3 SER 66 2HB SER 66 -10.782 -14.389 4.934 446 HG SER 66 HG SER 66 -12.650 -16.095 5.672 447 H GLY 67 H GLY 67 -10.202 -12.059 5.632 448 HA2 GLY 67 1HA GLY 67 -9.218 -11.094 7.468 449 HA3 GLY 67 2HA GLY 67 -10.811 -10.438 7.815 450 HA PRO 68 HA PRO 68 -10.099 -12.912 11.506 451 HB2 PRO 68 1HB PRO 68 -12.078 -11.737 12.945 452 HB3 PRO 68 2HB PRO 68 -10.485 -11.003 12.725 453 HG2 PRO 68 1HG PRO 68 -13.045 -10.441 11.279 454 HG3 PRO 68 2HG PRO 68 -11.833 -9.301 11.893 455 HD2 PRO 68 1HD PRO 68 -11.968 -10.019 9.286 456 HD3 PRO 68 2HD PRO 68 -10.436 -9.619 10.088 457 H SER 69 H SER 69 -10.823 -14.942 11.465 458 HA SER 69 HA SER 69 -13.249 -15.760 10.290 459 HB2 SER 69 1HB SER 69 -11.327 -17.267 10.500 460 HB3 SER 69 2HB SER 69 -11.479 -17.234 12.257 461 HG SER 69 HG SER 69 -13.591 -18.152 11.967 462 H SER 70 H SER 70 -12.315 -15.913 13.732 463 HA SER 70 HA SER 70 -15.119 -16.074 14.486 464 HB2 SER 70 1HB SER 70 -12.606 -16.173 16.172 465 HB3 SER 70 2HB SER 70 -14.243 -16.436 16.773 466 HG SER 70 HG SER 70 -13.247 -18.414 16.319 467 H GLY 71 H GLY 71 -12.332 -14.083 15.505 468 HA2 GLY 71 1HA GLY 71 -13.546 -11.603 15.166 469 HA3 GLY 71 2HA GLY 71 -13.929 -12.130 16.798 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -27.313 37.066 11.689 2 HA2 GLY 1 1HA GLY 1 -27.459 34.366 12.859 3 HA3 GLY 1 2HA GLY 1 -27.265 34.718 11.148 4 H SER 2 H SER 2 -25.380 33.738 10.674 5 HA SER 2 HA SER 2 -22.950 34.944 11.518 6 HB2 SER 2 1HB SER 2 -23.457 33.522 13.514 7 HB3 SER 2 2HB SER 2 -23.389 32.104 12.468 8 HG SER 2 HG SER 2 -21.399 32.876 13.691 9 H SER 3 H SER 3 -21.024 33.736 10.612 10 HA SER 3 HA SER 3 -21.627 31.921 8.426 11 HB2 SER 3 1HB SER 3 -21.923 34.218 7.480 12 HB3 SER 3 2HB SER 3 -20.239 34.554 7.880 13 HG SER 3 HG SER 3 -21.301 33.065 5.828 14 H GLY 4 H GLY 4 -19.881 30.684 7.783 15 HA2 GLY 4 1HA GLY 4 -17.459 30.386 7.650 16 HA3 GLY 4 2HA GLY 4 -17.344 31.196 9.205 17 H SER 5 H SER 5 -17.317 28.247 7.685 18 HA SER 5 HA SER 5 -17.851 26.863 10.228 19 HB2 SER 5 1HB SER 5 -18.914 25.045 9.087 20 HB3 SER 5 2HB SER 5 -19.677 26.526 8.511 21 HG SER 5 HG SER 5 -19.231 25.478 6.677 22 H SER 6 H SER 6 -16.734 24.792 10.448 23 HA SER 6 HA SER 6 -14.608 24.104 8.667 24 HB2 SER 6 1HB SER 6 -12.745 24.562 10.221 25 HB3 SER 6 2HB SER 6 -13.563 26.047 9.733 26 HG SER 6 HG SER 6 -13.790 24.654 12.188 27 H GLY 7 H GLY 7 -13.126 22.410 9.785 28 HA2 GLY 7 1HA GLY 7 -14.168 20.996 12.030 29 HA3 GLY 7 2HA GLY 7 -14.644 20.224 10.525 30 H ASP 8 H ASP 8 -13.320 18.516 11.767 31 HA ASP 8 HA ASP 8 -10.700 18.420 12.263 32 HB2 ASP 8 1HB ASP 8 -12.294 16.466 12.233 33 HB3 ASP 8 2HB ASP 8 -12.004 16.341 10.500 34 H MET 9 H MET 9 -8.746 18.230 11.178 35 HA MET 9 HA MET 9 -8.144 19.797 9.089 36 HB2 MET 9 1HB MET 9 -6.251 18.177 8.562 37 HB3 MET 9 2HB MET 9 -6.347 18.764 10.218 38 HG2 MET 9 1HG MET 9 -7.490 16.670 10.853 39 HG3 MET 9 2HG MET 9 -7.270 16.085 9.206 40 HE1 MET 9 1HE MET 9 -4.992 17.027 12.599 41 HE2 MET 9 2HE MET 9 -6.360 15.918 12.497 42 HE3 MET 9 3HE MET 9 -4.716 15.285 12.593 43 HA PRO 10 HA PRO 10 -10.642 17.778 5.893 44 HB2 PRO 10 1HB PRO 10 -10.687 19.948 4.263 45 HB3 PRO 10 2HB PRO 10 -11.772 19.763 5.646 46 HG2 PRO 10 1HG PRO 10 -9.232 21.332 5.427 47 HG3 PRO 10 2HG PRO 10 -10.768 21.790 6.186 48 HD2 PRO 10 1HD PRO 10 -8.642 20.913 7.615 49 HD3 PRO 10 2HD PRO 10 -10.318 20.599 8.108 50 H VAL 11 H VAL 11 -10.260 17.376 3.589 51 HA VAL 11 HA VAL 11 -7.497 16.806 3.082 52 HB VAL 11 HB VAL 11 -8.263 15.830 0.980 53 HG11 VAL 11 1HG1 VAL 11 -10.104 15.118 3.261 54 HG12 VAL 11 2HG1 VAL 11 -9.685 14.090 1.890 55 HG13 VAL 11 3HG1 VAL 11 -8.451 14.538 3.067 56 HG21 VAL 11 1HG2 VAL 11 -10.532 15.925 0.245 57 HG22 VAL 11 2HG2 VAL 11 -11.033 16.765 1.713 58 HG23 VAL 11 3HG2 VAL 11 -10.001 17.581 0.539 59 H ASP 12 H ASP 12 -6.705 17.271 0.727 60 HA ASP 12 HA ASP 12 -7.502 19.683 -0.525 61 HB2 ASP 12 1HB ASP 12 -5.367 19.824 1.543 62 HB3 ASP 12 2HB ASP 12 -5.111 20.730 0.054 63 HA PRO 13 HA PRO 13 -5.167 17.883 -3.777 64 HB2 PRO 13 1HB PRO 13 -4.636 20.074 -5.290 65 HB3 PRO 13 2HB PRO 13 -6.243 19.345 -5.186 66 HG2 PRO 13 1HG PRO 13 -5.151 21.736 -3.752 67 HG3 PRO 13 2HG PRO 13 -6.738 21.515 -4.512 68 HD2 PRO 13 1HD PRO 13 -6.359 21.293 -1.840 69 HD3 PRO 13 2HD PRO 13 -7.576 20.341 -2.715 70 H ASN 14 H ASN 14 -3.803 20.621 -2.048 71 HA ASN 14 HA ASN 14 -1.280 20.840 -3.034 72 HB2 ASN 14 1HB ASN 14 -1.818 20.717 -0.066 73 HB3 ASN 14 2HB ASN 14 -0.585 21.657 -0.902 74 HD21 ASN 14 1HD2 ASN 14 -1.781 22.984 -2.801 75 HD22 ASN 14 2HD2 ASN 14 -3.055 23.986 -2.203 76 H GLU 15 H GLU 15 -2.171 18.595 -0.405 77 HA GLU 15 HA GLU 15 -0.027 16.807 -1.337 78 HB2 GLU 15 1HB GLU 15 -0.617 17.760 1.445 79 HB3 GLU 15 2HB GLU 15 0.126 16.187 1.193 80 HG2 GLU 15 1HG GLU 15 2.065 17.100 0.307 81 HG3 GLU 15 2HG GLU 15 1.288 18.638 -0.063 82 HA PRO 16 HA PRO 16 -3.882 14.372 -1.374 83 HB2 PRO 16 1HB PRO 16 -3.031 12.679 -3.318 84 HB3 PRO 16 2HB PRO 16 -3.731 14.265 -3.664 85 HG2 PRO 16 1HG PRO 16 -0.854 13.444 -3.566 86 HG3 PRO 16 2HG PRO 16 -1.682 14.481 -4.742 87 HD2 PRO 16 1HD PRO 16 -0.175 15.479 -2.726 88 HD3 PRO 16 2HD PRO 16 -1.601 16.325 -3.362 89 H THR 17 H THR 17 -4.295 12.136 -0.875 90 HA THR 17 HA THR 17 -2.018 10.565 0.070 91 HB THR 17 HB THR 17 -3.371 10.028 2.180 92 HG1 THR 17 1HG THR 17 -4.476 12.592 1.927 93 HG21 THR 17 1HG2 THR 17 -2.008 12.664 1.693 94 HG22 THR 17 2HG2 THR 17 -1.364 11.219 2.473 95 HG23 THR 17 3HG2 THR 17 -2.583 12.196 3.292 96 H TYR 18 H TYR 18 -2.241 8.450 -0.342 97 HA TYR 18 HA TYR 18 -4.918 7.475 -1.098 98 HB2 TYR 18 1HB TYR 18 -2.252 6.573 -2.207 99 HB3 TYR 18 2HB TYR 18 -3.832 5.964 -2.687 100 HD1 TYR 18 2HD TYR 18 -5.366 7.389 -3.990 101 HD2 TYR 18 1HD TYR 18 -1.421 8.664 -3.036 102 HE1 TYR 18 2HE TYR 18 -5.518 9.132 -5.718 103 HE2 TYR 18 1HE TYR 18 -1.563 10.412 -4.761 104 HH TYR 18 HH TYR 18 -4.064 10.498 -7.089 105 H CYS 19 H CYS 19 -1.749 6.028 -0.332 106 HA CYS 19 HA CYS 19 -2.583 3.646 0.700 107 HB2 CYS 19 1HB CYS 19 -0.255 3.966 0.451 108 HB3 CYS 19 2HB CYS 19 -0.260 5.400 1.473 109 H LEU 20 H LEU 20 -2.716 2.870 2.939 110 HA LEU 20 HA LEU 20 -4.702 4.149 4.401 111 HB2 LEU 20 1HB LEU 20 -2.653 2.257 5.536 112 HB3 LEU 20 2HB LEU 20 -4.282 2.557 6.140 113 HG LEU 20 HG LEU 20 -4.941 1.655 3.735 114 HD11 LEU 20 1HD1 LEU 20 -3.054 -0.393 3.782 115 HD12 LEU 20 2HD1 LEU 20 -2.121 1.096 3.930 116 HD13 LEU 20 3HD1 LEU 20 -3.221 0.877 2.569 117 HD21 LEU 20 1HD2 LEU 20 -4.544 -0.728 5.015 118 HD22 LEU 20 2HD2 LEU 20 -5.915 0.351 5.272 119 HD23 LEU 20 3HD2 LEU 20 -4.521 0.422 6.352 120 H CYS 21 H CYS 21 -1.194 4.096 4.969 121 HA CYS 21 HA CYS 21 -1.068 5.531 7.318 122 HB2 CYS 21 1HB CYS 21 1.198 6.075 6.745 123 HB3 CYS 21 2HB CYS 21 0.860 4.465 6.117 124 H HIS 22 H HIS 22 -2.152 6.597 4.277 125 HA HIS 22 HA HIS 22 -2.935 8.596 3.523 126 HB2 HIS 22 1HB HIS 22 -2.677 9.362 6.438 127 HB3 HIS 22 2HB HIS 22 -3.473 10.347 5.215 128 HD1 HIS 22 1HD HIS 22 -5.517 8.943 3.935 129 HD2 HIS 22 2HD HIS 22 -4.394 7.747 7.752 130 HE1 HIS 22 1HE HIS 22 -7.453 7.601 4.816 131 HE2 HIS 22 2HE HIS 22 -6.785 6.960 7.159 132 H GLN 23 H GLN 23 -0.434 8.253 2.837 133 HA GLN 23 HA GLN 23 0.958 10.759 3.515 134 HB2 GLN 23 1HB GLN 23 2.013 8.046 2.752 135 HB3 GLN 23 2HB GLN 23 3.006 9.491 2.621 136 HG2 GLN 23 1HG GLN 23 1.640 8.967 5.202 137 HG3 GLN 23 2HG GLN 23 3.027 7.967 4.772 138 HE21 GLN 23 1HE2 GLN 23 2.542 10.120 6.822 139 HE22 GLN 23 2HE2 GLN 23 3.864 11.212 6.615 140 H VAL 24 H VAL 24 2.312 11.659 1.748 141 HA VAL 24 HA VAL 24 0.748 11.826 -0.669 142 HB VAL 24 HB VAL 24 2.274 13.567 -1.357 143 HG11 VAL 24 1HG1 VAL 24 0.634 13.691 0.824 144 HG12 VAL 24 2HG1 VAL 24 2.151 14.325 1.464 145 HG13 VAL 24 3HG1 VAL 24 1.406 15.076 0.052 146 HG21 VAL 24 1HG2 VAL 24 4.127 14.148 0.393 147 HG22 VAL 24 2HG2 VAL 24 3.987 12.441 0.814 148 HG23 VAL 24 3HG2 VAL 24 4.420 12.911 -0.830 149 H SER 25 H SER 25 1.626 11.539 -2.808 150 HA SER 25 HA SER 25 2.656 9.085 -3.365 151 HB2 SER 25 1HB SER 25 1.720 10.618 -5.065 152 HB3 SER 25 2HB SER 25 3.187 11.593 -4.978 153 HG SER 25 HG SER 25 2.741 9.443 -6.458 154 H TYR 26 H TYR 26 4.383 8.288 -2.301 155 HA TYR 26 HA TYR 26 6.975 9.503 -2.876 156 HB2 TYR 26 1HB TYR 26 7.683 9.683 -0.674 157 HB3 TYR 26 2HB TYR 26 6.001 10.186 -0.551 158 HD1 TYR 26 1HD TYR 26 8.235 7.244 -0.118 159 HD2 TYR 26 2HD TYR 26 4.542 9.089 0.913 160 HE1 TYR 26 1HE TYR 26 7.847 5.506 1.578 161 HE2 TYR 26 2HE TYR 26 4.145 7.356 2.613 162 HH TYR 26 HH TYR 26 5.523 4.530 2.714 163 H GLY 27 H GLY 27 8.758 8.045 -2.673 164 HA2 GLY 27 1HA GLY 27 9.770 6.014 -3.021 165 HA3 GLY 27 2HA GLY 27 8.634 5.397 -1.830 166 H GLU 28 H GLU 28 8.899 3.450 -3.242 167 HA GLU 28 HA GLU 28 7.693 3.480 -5.840 168 HB2 GLU 28 1HB GLU 28 8.746 1.346 -4.018 169 HB3 GLU 28 2HB GLU 28 7.784 0.901 -5.421 170 HG2 GLU 28 1HG GLU 28 9.402 2.236 -6.811 171 HG3 GLU 28 2HG GLU 28 10.415 2.347 -5.373 172 H MET 29 H MET 29 5.669 2.875 -6.453 173 HA MET 29 HA MET 29 3.801 2.005 -4.359 174 HB2 MET 29 1HB MET 29 3.323 4.209 -6.371 175 HB3 MET 29 2HB MET 29 2.074 3.509 -5.350 176 HG2 MET 29 1HG MET 29 3.412 4.219 -3.366 177 HG3 MET 29 2HG MET 29 4.484 5.075 -4.472 178 HE1 MET 29 1HE MET 29 0.908 4.383 -3.638 179 HE2 MET 29 2HE MET 29 1.008 5.637 -2.402 180 HE3 MET 29 3HE MET 29 0.040 5.904 -3.852 181 H ILE 30 H ILE 30 1.680 1.252 -5.370 182 HA ILE 30 HA ILE 30 2.021 0.129 -8.046 183 HB ILE 30 HB ILE 30 1.551 -2.103 -7.435 184 HG12 ILE 30 1HG1 ILE 30 -0.104 -1.354 -5.611 185 HG13 ILE 30 2HG1 ILE 30 0.786 -2.848 -5.341 186 HG21 ILE 30 1HG2 ILE 30 3.386 -2.681 -5.912 187 HG22 ILE 30 2HG2 ILE 30 3.869 -1.468 -7.096 188 HG23 ILE 30 3HG2 ILE 30 3.514 -0.987 -5.438 189 HD11 ILE 30 1HD1 ILE 30 1.830 -0.269 -4.265 190 HD12 ILE 30 2HD1 ILE 30 0.547 -1.139 -3.422 191 HD13 ILE 30 3HD1 ILE 30 2.106 -1.916 -3.698 192 H GLY 31 H GLY 31 -0.014 -0.850 -8.871 193 HA2 GLY 31 1HA GLY 31 -2.342 0.582 -7.749 194 HA3 GLY 31 2HA GLY 31 -2.121 0.250 -9.461 195 H CYS 32 H CYS 32 -3.844 -0.643 -6.847 196 HA CYS 32 HA CYS 32 -3.848 -3.408 -6.759 197 HB2 CYS 32 1HB CYS 32 -5.126 -1.834 -5.257 198 HB3 CYS 32 2HB CYS 32 -6.320 -1.685 -6.542 199 H ASP 33 H ASP 33 -5.091 -5.013 -7.773 200 HA ASP 33 HA ASP 33 -5.826 -4.352 -10.528 201 HB2 ASP 33 1HB ASP 33 -4.219 -6.273 -9.849 202 HB3 ASP 33 2HB ASP 33 -5.689 -7.139 -9.409 203 H ASN 34 H ASN 34 -7.546 -3.679 -8.264 204 HA ASN 34 HA ASN 34 -9.879 -5.351 -8.933 205 HB2 ASN 34 1HB ASN 34 -9.013 -5.460 -6.536 206 HB3 ASN 34 2HB ASN 34 -9.556 -3.793 -6.370 207 HD21 ASN 34 1HD2 ASN 34 -11.074 -4.301 -4.818 208 HD22 ASN 34 2HD2 ASN 34 -12.530 -5.155 -5.186 209 HA PRO 35 HA PRO 35 -11.386 -1.543 -10.689 210 HB2 PRO 35 1HB PRO 35 -13.791 -2.532 -11.469 211 HB3 PRO 35 2HB PRO 35 -12.291 -2.849 -12.349 212 HG2 PRO 35 1HG PRO 35 -13.734 -4.582 -10.380 213 HG3 PRO 35 2HG PRO 35 -12.977 -5.029 -11.921 214 HD2 PRO 35 1HD PRO 35 -11.778 -5.455 -9.531 215 HD3 PRO 35 2HD PRO 35 -10.862 -5.092 -11.008 216 H ASP 36 H ASP 36 -12.392 -3.117 -7.908 217 HA ASP 36 HA ASP 36 -14.594 -1.247 -7.401 218 HB2 ASP 36 1HB ASP 36 -15.213 -3.496 -6.915 219 HB3 ASP 36 2HB ASP 36 -13.720 -3.787 -6.025 220 H CYS 37 H CYS 37 -11.318 -1.878 -6.588 221 HA CYS 37 HA CYS 37 -11.168 -0.688 -4.050 222 HB2 CYS 37 1HB CYS 37 -9.400 -2.039 -5.460 223 HB3 CYS 37 2HB CYS 37 -8.908 -0.435 -5.995 224 H SER 38 H SER 38 -11.299 1.357 -3.399 225 HA SER 38 HA SER 38 -11.779 3.445 -5.317 226 HB2 SER 38 1HB SER 38 -12.980 3.262 -3.118 227 HB3 SER 38 2HB SER 38 -11.473 3.707 -2.318 228 HG SER 38 HG SER 38 -12.054 5.684 -2.676 229 H ILE 39 H ILE 39 -9.273 2.743 -2.902 230 HA ILE 39 HA ILE 39 -7.695 5.029 -3.548 231 HB ILE 39 HB ILE 39 -7.000 2.501 -2.053 232 HG12 ILE 39 1HG1 ILE 39 -7.461 5.303 -1.017 233 HG13 ILE 39 2HG1 ILE 39 -8.711 4.065 -1.064 234 HG21 ILE 39 1HG2 ILE 39 -5.201 4.432 -1.274 235 HG22 ILE 39 2HG2 ILE 39 -4.870 3.088 -2.367 236 HG23 ILE 39 3HG2 ILE 39 -5.313 4.666 -3.018 237 HD11 ILE 39 1HD1 ILE 39 -8.048 3.521 0.980 238 HD12 ILE 39 2HD1 ILE 39 -6.615 2.823 0.224 239 HD13 ILE 39 3HD1 ILE 39 -6.572 4.475 0.839 240 H GLU 40 H GLU 40 -6.980 1.558 -3.995 241 HA GLU 40 HA GLU 40 -5.708 0.458 -5.529 242 HB2 GLU 40 1HB GLU 40 -7.574 1.365 -6.971 243 HB3 GLU 40 2HB GLU 40 -6.495 2.678 -7.417 244 HG2 GLU 40 1HG GLU 40 -4.926 1.090 -8.374 245 HG3 GLU 40 2HG GLU 40 -5.968 -0.247 -7.891 246 H TRP 41 H TRP 41 -4.251 2.100 -3.863 247 HA TRP 41 HA TRP 41 -1.843 2.399 -5.333 248 HB2 TRP 41 1HB TRP 41 -3.432 4.860 -4.694 249 HB3 TRP 41 2HB TRP 41 -1.672 4.929 -4.689 250 HD1 TRP 41 HD TRP 41 -4.602 5.089 -6.984 251 HE1 TRP 41 1HE TRP 41 -3.806 5.201 -9.429 252 HE3 TRP 41 3HE TRP 41 0.326 3.921 -6.287 253 HZ2 TRP 41 2HZ TRP 41 -1.406 4.842 -10.871 254 HZ3 TRP 41 3HZ TRP 41 1.805 3.825 -8.251 255 HH2 TRP 41 HH TRP 41 0.955 4.276 -10.495 256 H PHE 42 H PHE 42 -0.282 1.883 -3.956 257 HA PHE 42 HA PHE 42 -0.379 2.858 -1.209 258 HB2 PHE 42 1HB PHE 42 0.034 -0.072 -1.828 259 HB3 PHE 42 2HB PHE 42 -0.015 0.675 -0.235 260 HD1 PHE 42 1HD PHE 42 -2.085 0.079 -3.261 261 HD2 PHE 42 2HD PHE 42 -2.016 0.810 0.932 262 HE1 PHE 42 1HE PHE 42 -4.510 -0.325 -3.153 263 HE2 PHE 42 2HE PHE 42 -4.440 0.407 1.046 264 HZ PHE 42 HZ PHE 42 -5.690 -0.163 -0.998 265 H HIS 43 H HIS 43 1.724 1.932 -0.050 266 HA HIS 43 HA HIS 43 3.947 2.496 -1.894 267 HB2 HIS 43 1HB HIS 43 3.958 2.744 1.118 268 HB3 HIS 43 2HB HIS 43 5.185 3.326 -0.002 269 HD2 HIS 43 2HD HIS 43 4.019 5.418 -1.811 270 HE1 HIS 43 1HE HIS 43 1.450 6.736 1.297 271 HE2 HIS 43 2HE HIS 43 2.396 7.253 -0.979 272 H PHE 44 H PHE 44 5.705 1.157 -1.999 273 HA PHE 44 HA PHE 44 5.394 -1.555 -1.571 274 HB2 PHE 44 1HB PHE 44 7.778 0.199 -2.015 275 HB3 PHE 44 2HB PHE 44 8.027 -1.497 -1.613 276 HD1 PHE 44 2HD PHE 44 5.593 0.301 -3.798 277 HD2 PHE 44 1HD PHE 44 8.597 -2.697 -3.478 278 HE1 PHE 44 2HE PHE 44 5.235 -0.304 -6.156 279 HE2 PHE 44 1HE PHE 44 8.244 -3.307 -5.836 280 HZ PHE 44 HZ PHE 44 6.560 -2.111 -7.177 281 H ALA 45 H ALA 45 7.595 0.533 0.308 282 HA ALA 45 HA ALA 45 8.299 -1.189 2.297 283 HB1 ALA 45 1HB ALA 45 7.635 1.687 2.871 284 HB2 ALA 45 2HB ALA 45 8.865 0.675 3.628 285 HB3 ALA 45 3HB ALA 45 9.062 1.200 1.956 286 H CYS 46 H CYS 46 5.390 0.853 2.237 287 HA CYS 46 HA CYS 46 4.381 0.117 4.744 288 HB2 CYS 46 1HB CYS 46 3.224 1.292 2.260 289 HB3 CYS 46 2HB CYS 46 2.109 0.667 3.471 290 H VAL 47 H VAL 47 3.594 -1.175 1.518 291 HA VAL 47 HA VAL 47 2.059 -3.340 2.676 292 HB VAL 47 HB VAL 47 1.731 -4.073 0.338 293 HG11 VAL 47 1HG1 VAL 47 1.211 -1.130 0.749 294 HG12 VAL 47 2HG1 VAL 47 0.351 -2.204 -0.356 295 HG13 VAL 47 3HG1 VAL 47 0.217 -2.440 1.387 296 HG21 VAL 47 1HG2 VAL 47 3.903 -2.165 -0.103 297 HG22 VAL 47 2HG2 VAL 47 3.387 -3.542 -1.078 298 HG23 VAL 47 3HG2 VAL 47 2.558 -1.993 -1.231 299 H GLY 48 H GLY 48 4.895 -3.196 3.329 300 HA2 GLY 48 1HA GLY 48 6.848 -4.455 3.209 301 HA3 GLY 48 2HA GLY 48 5.687 -5.744 3.491 302 H LEU 49 H LEU 49 6.871 -3.758 0.775 303 HA LEU 49 HA LEU 49 6.955 -6.222 -0.839 304 HB2 LEU 49 1HB LEU 49 5.965 -3.497 -1.451 305 HB3 LEU 49 2HB LEU 49 6.818 -4.350 -2.737 306 HG LEU 49 HG LEU 49 4.346 -5.337 -1.313 307 HD11 LEU 49 1HD1 LEU 49 4.417 -4.639 -4.200 308 HD12 LEU 49 2HD1 LEU 49 4.313 -3.329 -3.025 309 HD13 LEU 49 3HD1 LEU 49 3.078 -4.587 -3.053 310 HD21 LEU 49 1HD2 LEU 49 4.655 -7.319 -2.275 311 HD22 LEU 49 2HD2 LEU 49 6.301 -6.797 -2.634 312 HD23 LEU 49 3HD2 LEU 49 5.026 -6.584 -3.835 313 H THR 50 H THR 50 9.099 -6.699 -0.459 314 HA THR 50 HA THR 50 11.243 -4.932 -0.423 315 HB THR 50 HB THR 50 11.459 -7.256 0.304 316 HG1 THR 50 1HG THR 50 13.494 -6.878 -0.107 317 HG21 THR 50 1HG2 THR 50 10.048 -8.161 -1.608 318 HG22 THR 50 2HG2 THR 50 11.476 -9.102 -1.175 319 HG23 THR 50 3HG2 THR 50 11.504 -8.059 -2.597 320 H THR 51 H THR 51 9.722 -6.583 -3.150 321 HA THR 51 HA THR 51 10.985 -4.672 -4.960 322 HB THR 51 HB THR 51 11.567 -6.469 -6.577 323 HG1 THR 51 1HG THR 51 11.814 -8.612 -5.357 324 HG21 THR 51 1HG2 THR 51 13.038 -5.541 -4.490 325 HG22 THR 51 2HG2 THR 51 13.661 -6.611 -5.746 326 HG23 THR 51 3HG2 THR 51 13.114 -7.279 -4.209 327 H LYS 52 H LYS 52 10.034 -4.820 -7.186 328 HA LYS 52 HA LYS 52 7.278 -4.547 -7.127 329 HB2 LYS 52 1HB LYS 52 9.042 -3.859 -8.927 330 HB3 LYS 52 2HB LYS 52 8.667 -5.425 -9.635 331 HG2 LYS 52 1HG LYS 52 6.384 -4.821 -9.949 332 HG3 LYS 52 2HG LYS 52 6.591 -3.338 -9.015 333 HD2 LYS 52 1HD LYS 52 8.042 -2.418 -10.700 334 HD3 LYS 52 2HD LYS 52 8.038 -3.940 -11.593 335 HE2 LYS 52 1HE LYS 52 5.622 -3.689 -11.971 336 HE3 LYS 52 2HE LYS 52 5.656 -2.151 -11.110 337 HZ1 LYS 52 1HZ LYS 52 6.957 -2.810 -13.689 338 HZ2 LYS 52 2HZ LYS 52 7.320 -1.411 -12.811 339 HZ3 LYS 52 3HZ LYS 52 5.753 -1.657 -13.400 340 HA PRO 53 HA PRO 53 6.077 -8.838 -6.840 341 HB2 PRO 53 1HB PRO 53 3.406 -8.358 -6.773 342 HB3 PRO 53 2HB PRO 53 4.457 -8.132 -5.371 343 HG2 PRO 53 1HG PRO 53 3.409 -6.097 -7.300 344 HG3 PRO 53 2HG PRO 53 3.536 -6.003 -5.534 345 HD2 PRO 53 1HD PRO 53 5.327 -4.824 -7.188 346 HD3 PRO 53 2HD PRO 53 5.778 -5.471 -5.597 347 H ARG 54 H ARG 54 6.034 -10.167 -8.531 348 HA ARG 54 HA ARG 54 5.253 -9.276 -11.139 349 HB2 ARG 54 1HB ARG 54 7.104 -10.890 -10.734 350 HB3 ARG 54 2HB ARG 54 5.915 -12.075 -10.210 351 HG2 ARG 54 1HG ARG 54 4.959 -12.194 -12.386 352 HG3 ARG 54 2HG ARG 54 5.910 -10.815 -12.940 353 HD2 ARG 54 1HD ARG 54 7.120 -13.402 -11.982 354 HD3 ARG 54 2HD ARG 54 6.750 -13.067 -13.674 355 HE ARG 54 HE ARG 54 8.910 -11.951 -12.105 356 HH11 ARG 54 2HH1 ARG 54 6.967 -11.705 -14.983 357 HH12 ARG 54 1HH1 ARG 54 8.136 -10.765 -15.849 358 HH21 ARG 54 2HH2 ARG 54 10.457 -10.714 -13.235 359 HH22 ARG 54 1HH2 ARG 54 10.122 -10.203 -14.854 360 H GLY 55 H GLY 55 3.585 -10.163 -12.452 361 HA2 GLY 55 1HA GLY 55 1.527 -11.130 -12.889 362 HA3 GLY 55 2HA GLY 55 1.581 -11.878 -11.300 363 H LYS 56 H LYS 56 -0.606 -11.377 -10.934 364 HA LYS 56 HA LYS 56 -1.411 -8.587 -10.897 365 HB2 LYS 56 1HB LYS 56 -3.603 -9.586 -10.079 366 HB3 LYS 56 2HB LYS 56 -3.093 -10.039 -11.700 367 HG2 LYS 56 1HG LYS 56 -2.512 -12.199 -11.046 368 HG3 LYS 56 2HG LYS 56 -2.457 -11.764 -9.336 369 HD2 LYS 56 1HD LYS 56 -4.472 -12.848 -9.405 370 HD3 LYS 56 2HD LYS 56 -5.001 -11.201 -9.753 371 HE2 LYS 56 1HE LYS 56 -6.083 -12.450 -11.382 372 HE3 LYS 56 2HE LYS 56 -4.654 -11.857 -12.226 373 HZ1 LYS 56 1HZ LYS 56 -3.680 -14.117 -11.343 374 HZ2 LYS 56 2HZ LYS 56 -4.562 -14.042 -12.784 375 HZ3 LYS 56 3HZ LYS 56 -5.310 -14.573 -11.362 376 H TRP 57 H TRP 57 -1.348 -7.316 -9.165 377 HA TRP 57 HA TRP 57 -0.843 -8.563 -6.547 378 HB2 TRP 57 1HB TRP 57 0.952 -7.081 -7.344 379 HB3 TRP 57 2HB TRP 57 -0.203 -5.758 -7.485 380 HD1 TRP 57 HD TRP 57 1.720 -7.788 -4.873 381 HE1 TRP 57 1HE TRP 57 1.637 -6.530 -2.630 382 HE3 TRP 57 3HE TRP 57 -1.591 -4.102 -6.132 383 HZ2 TRP 57 2HZ TRP 57 0.340 -4.274 -1.537 384 HZ3 TRP 57 3HZ TRP 57 -2.201 -2.433 -4.429 385 HH2 TRP 57 HH TRP 57 -1.254 -2.519 -2.180 386 H PHE 58 H PHE 58 -2.190 -8.203 -4.873 387 HA PHE 58 HA PHE 58 -4.400 -6.299 -5.293 388 HB2 PHE 58 1HB PHE 58 -4.496 -9.006 -3.948 389 HB3 PHE 58 2HB PHE 58 -5.825 -7.851 -3.966 390 HD1 PHE 58 2HD PHE 58 -6.681 -7.108 -6.280 391 HD2 PHE 58 1HD PHE 58 -4.296 -10.574 -5.635 392 HE1 PHE 58 2HE PHE 58 -7.460 -8.038 -8.420 393 HE2 PHE 58 1HE PHE 58 -5.071 -11.509 -7.775 394 HZ PHE 58 HZ PHE 58 -6.656 -10.242 -9.170 395 H CYS 59 H CYS 59 -4.525 -4.740 -3.828 396 HA CYS 59 HA CYS 59 -2.748 -4.300 -1.787 397 HB2 CYS 59 1HB CYS 59 -4.175 -2.567 -1.031 398 HB3 CYS 59 2HB CYS 59 -4.463 -2.689 -2.764 399 HA PRO 60 HA PRO 60 -3.754 -6.947 1.567 400 HB2 PRO 60 1HB PRO 60 -3.129 -5.367 3.685 401 HB3 PRO 60 2HB PRO 60 -1.906 -6.094 2.635 402 HG2 PRO 60 1HG PRO 60 -3.013 -3.313 2.609 403 HG3 PRO 60 2HG PRO 60 -1.333 -3.850 2.431 404 HD2 PRO 60 1HD PRO 60 -2.869 -3.146 0.316 405 HD3 PRO 60 2HD PRO 60 -1.609 -4.392 0.208 406 H ARG 61 H ARG 61 -5.654 -4.424 0.718 407 HA ARG 61 HA ARG 61 -7.415 -4.637 3.060 408 HB2 ARG 61 1HB ARG 61 -7.312 -2.616 0.817 409 HB3 ARG 61 2HB ARG 61 -8.572 -2.651 2.043 410 HG2 ARG 61 1HG ARG 61 -6.645 -2.494 3.735 411 HG3 ARG 61 2HG ARG 61 -5.670 -1.994 2.351 412 HD2 ARG 61 1HD ARG 61 -8.117 -0.652 3.476 413 HD3 ARG 61 2HD ARG 61 -6.476 -0.015 3.391 414 HE ARG 61 HE ARG 61 -7.028 -0.373 0.809 415 HH11 ARG 61 2HH1 ARG 61 -8.905 1.066 3.363 416 HH12 ARG 61 1HH1 ARG 61 -9.733 2.166 2.312 417 HH21 ARG 61 2HH2 ARG 61 -8.111 1.071 -0.585 418 HH22 ARG 61 1HH2 ARG 61 -9.282 2.168 0.066 419 H CYS 62 H CYS 62 -7.118 -5.456 -0.275 420 HA CYS 62 HA CYS 62 -9.959 -6.090 -0.519 421 HB2 CYS 62 1HB CYS 62 -7.686 -6.133 -2.508 422 HB3 CYS 62 2HB CYS 62 -9.313 -6.689 -2.886 423 H SER 63 H SER 63 -6.798 -7.694 -0.734 424 HA SER 63 HA SER 63 -7.737 -10.289 -1.203 425 HB2 SER 63 1HB SER 63 -5.421 -9.871 -1.551 426 HB3 SER 63 2HB SER 63 -5.209 -9.264 0.091 427 HG SER 63 HG SER 63 -6.190 -11.816 -0.005 428 H GLN 64 H GLN 64 -7.421 -8.440 1.747 429 HA GLN 64 HA GLN 64 -7.904 -10.708 3.464 430 HB2 GLN 64 1HB GLN 64 -6.545 -8.593 4.028 431 HB3 GLN 64 2HB GLN 64 -8.104 -7.822 4.287 432 HG2 GLN 64 1HG GLN 64 -8.645 -9.501 5.985 433 HG3 GLN 64 2HG GLN 64 -7.067 -10.247 5.737 434 HE21 GLN 64 1HE2 GLN 64 -5.702 -9.758 7.283 435 HE22 GLN 64 2HE2 GLN 64 -5.586 -8.245 8.108 436 H GLU 65 H GLU 65 -9.909 -10.445 1.537 437 HA GLU 65 HA GLU 65 -12.202 -9.326 2.975 438 HB2 GLU 65 1HB GLU 65 -11.985 -8.657 0.646 439 HB3 GLU 65 2HB GLU 65 -11.941 -10.340 0.140 440 HG2 GLU 65 1HG GLU 65 -14.113 -9.569 -0.321 441 HG3 GLU 65 2HG GLU 65 -14.247 -10.578 1.118 442 H SER 66 H SER 66 -14.141 -10.566 3.233 443 HA SER 66 HA SER 66 -13.931 -12.948 4.491 444 HB2 SER 66 1HB SER 66 -16.163 -11.718 2.924 445 HB3 SER 66 2HB SER 66 -16.355 -13.364 3.527 446 HG SER 66 HG SER 66 -15.387 -11.502 5.338 447 H GLY 67 H GLY 67 -14.923 -12.695 1.067 448 HA2 GLY 67 1HA GLY 67 -14.629 -14.134 -0.698 449 HA3 GLY 67 2HA GLY 67 -13.216 -14.737 0.155 450 HA PRO 68 HA PRO 68 -17.163 -17.397 1.235 451 HB2 PRO 68 1HB PRO 68 -18.871 -17.600 -0.864 452 HB3 PRO 68 2HB PRO 68 -19.044 -16.376 0.399 453 HG2 PRO 68 1HG PRO 68 -17.850 -16.122 -2.334 454 HG3 PRO 68 2HG PRO 68 -18.932 -15.008 -1.478 455 HD2 PRO 68 1HD PRO 68 -16.258 -14.612 -1.632 456 HD3 PRO 68 2HD PRO 68 -17.219 -14.106 -0.227 457 H SER 69 H SER 69 -16.562 -19.460 1.118 458 HA SER 69 HA SER 69 -15.137 -20.417 -1.228 459 HB2 SER 69 1HB SER 69 -14.428 -22.248 0.120 460 HB3 SER 69 2HB SER 69 -14.372 -20.829 1.166 461 HG SER 69 HG SER 69 -16.286 -21.479 2.114 462 H SER 70 H SER 70 -15.949 -21.739 -2.728 463 HA SER 70 HA SER 70 -18.732 -22.563 -2.478 464 HB2 SER 70 1HB SER 70 -17.682 -21.430 -4.554 465 HB3 SER 70 2HB SER 70 -16.999 -23.019 -4.898 466 HG SER 70 HG SER 70 -19.083 -22.577 -5.888 467 H GLY 71 H GLY 71 -19.303 -24.543 -1.882 468 HA2 GLY 71 1HA GLY 71 -19.091 -26.738 -1.209 469 HA3 GLY 71 2HA GLY 71 -18.396 -26.944 -2.810 Start of MODEL 4 1 H1 GLY 1 H GLY 1 19.049 2.015 2.322 2 HA2 GLY 1 1HA GLY 1 16.772 2.671 3.797 3 HA3 GLY 1 2HA GLY 1 18.136 2.716 4.903 4 H SER 2 H SER 2 16.255 4.626 3.099 5 HA SER 2 HA SER 2 18.436 6.497 2.445 6 HB2 SER 2 1HB SER 2 15.702 6.137 1.213 7 HB3 SER 2 2HB SER 2 16.696 7.564 0.920 8 HG SER 2 HG SER 2 17.613 4.921 0.475 9 H SER 3 H SER 3 18.453 7.214 4.658 10 HA SER 3 HA SER 3 16.157 8.929 5.345 11 HB2 SER 3 1HB SER 3 18.142 7.576 7.188 12 HB3 SER 3 2HB SER 3 16.871 8.681 7.710 13 HG SER 3 HG SER 3 15.535 7.020 6.374 14 H GLY 4 H GLY 4 16.674 10.929 4.682 15 HA2 GLY 4 1HA GLY 4 18.464 12.547 6.014 16 HA3 GLY 4 2HA GLY 4 19.350 11.925 4.630 17 H SER 5 H SER 5 18.440 14.668 5.319 18 HA SER 5 HA SER 5 16.402 15.286 3.365 19 HB2 SER 5 1HB SER 5 18.113 17.076 5.107 20 HB3 SER 5 2HB SER 5 16.807 17.642 4.066 21 HG SER 5 HG SER 5 16.679 16.542 6.533 22 H SER 6 H SER 6 16.859 15.390 1.277 23 HA SER 6 HA SER 6 19.470 16.489 0.461 24 HB2 SER 6 1HB SER 6 19.235 15.034 -1.589 25 HB3 SER 6 2HB SER 6 19.481 14.152 -0.081 26 HG SER 6 HG SER 6 17.800 13.123 -0.957 27 H GLY 7 H GLY 7 16.073 16.054 -0.481 28 HA2 GLY 7 1HA GLY 7 15.661 18.702 -1.245 29 HA3 GLY 7 2HA GLY 7 16.147 17.824 -2.687 30 H ASP 8 H ASP 8 13.853 17.618 0.025 31 HA ASP 8 HA ASP 8 11.867 16.564 -1.881 32 HB2 ASP 8 1HB ASP 8 12.572 15.667 0.879 33 HB3 ASP 8 2HB ASP 8 10.891 15.553 0.367 34 H MET 9 H MET 9 10.623 18.293 -2.305 35 HA MET 9 HA MET 9 10.127 20.533 -0.878 36 HB2 MET 9 1HB MET 9 8.144 20.849 -2.141 37 HB3 MET 9 2HB MET 9 9.239 19.936 -3.171 38 HG2 MET 9 1HG MET 9 8.048 17.863 -2.492 39 HG3 MET 9 2HG MET 9 6.889 18.870 -1.627 40 HE1 MET 9 1HE MET 9 6.109 17.096 -5.238 41 HE2 MET 9 2HE MET 9 7.694 17.742 -5.664 42 HE3 MET 9 3HE MET 9 7.484 16.838 -4.164 43 HA PRO 10 HA PRO 10 7.923 19.550 2.791 44 HB2 PRO 10 1HB PRO 10 6.420 21.790 3.097 45 HB3 PRO 10 2HB PRO 10 8.164 21.758 3.377 46 HG2 PRO 10 1HG PRO 10 6.649 22.698 0.973 47 HG3 PRO 10 2HG PRO 10 8.041 23.444 1.780 48 HD2 PRO 10 1HD PRO 10 8.282 21.983 -0.488 49 HD3 PRO 10 2HD PRO 10 9.550 22.035 0.754 50 H VAL 11 H VAL 11 6.560 17.850 2.354 51 HA VAL 11 HA VAL 11 4.332 17.853 0.690 52 HB VAL 11 HB VAL 11 3.555 15.889 1.926 53 HG11 VAL 11 1HG1 VAL 11 5.175 14.550 1.100 54 HG12 VAL 11 2HG1 VAL 11 5.791 16.065 0.437 55 HG13 VAL 11 3HG1 VAL 11 6.466 15.416 1.932 56 HG21 VAL 11 1HG2 VAL 11 3.969 16.604 4.190 57 HG22 VAL 11 2HG2 VAL 11 4.840 15.100 3.894 58 HG23 VAL 11 3HG2 VAL 11 5.708 16.635 3.902 59 H ASP 12 H ASP 12 2.051 17.287 1.724 60 HA ASP 12 HA ASP 12 1.251 18.668 4.053 61 HB2 ASP 12 1HB ASP 12 1.175 20.162 1.481 62 HB3 ASP 12 2HB ASP 12 -0.217 20.323 2.549 63 HA PRO 13 HA PRO 13 -2.321 16.190 3.471 64 HB2 PRO 13 1HB PRO 13 -4.226 17.650 4.740 65 HB3 PRO 13 2HB PRO 13 -2.948 16.783 5.600 66 HG2 PRO 13 1HG PRO 13 -3.116 19.685 4.883 67 HG3 PRO 13 2HG PRO 13 -2.587 18.937 6.401 68 HD2 PRO 13 1HD PRO 13 -0.844 19.859 4.546 69 HD3 PRO 13 2HD PRO 13 -0.486 18.461 5.580 70 H ASN 14 H ASN 14 -2.360 19.488 2.365 71 HA ASN 14 HA ASN 14 -4.852 19.624 1.135 72 HB2 ASN 14 1HB ASN 14 -2.209 20.934 0.582 73 HB3 ASN 14 2HB ASN 14 -3.570 21.201 -0.503 74 HD21 ASN 14 1HD2 ASN 14 -2.271 21.752 2.659 75 HD22 ASN 14 2HD2 ASN 14 -3.429 22.935 3.154 76 H GLU 15 H GLU 15 -1.778 18.376 -0.111 77 HA GLU 15 HA GLU 15 -2.655 17.824 -2.723 78 HB2 GLU 15 1HB GLU 15 -0.394 16.901 -1.012 79 HB3 GLU 15 2HB GLU 15 -0.744 15.999 -2.480 80 HG2 GLU 15 1HG GLU 15 -0.031 18.911 -2.257 81 HG3 GLU 15 2HG GLU 15 0.940 17.619 -2.960 82 HA PRO 16 HA PRO 16 -5.082 14.183 -2.434 83 HB2 PRO 16 1HB PRO 16 -4.250 12.752 -4.586 84 HB3 PRO 16 2HB PRO 16 -5.232 14.215 -4.726 85 HG2 PRO 16 1HG PRO 16 -2.276 13.880 -5.056 86 HG3 PRO 16 2HG PRO 16 -3.412 14.822 -6.039 87 HD2 PRO 16 1HD PRO 16 -1.818 15.956 -4.167 88 HD3 PRO 16 2HD PRO 16 -3.434 16.583 -4.553 89 H THR 17 H THR 17 -5.054 12.260 -1.402 90 HA THR 17 HA THR 17 -2.432 10.973 -0.996 91 HB THR 17 HB THR 17 -3.235 10.182 1.173 92 HG1 THR 17 1HG THR 17 -5.258 10.965 1.949 93 HG21 THR 17 1HG2 THR 17 -3.810 12.711 2.025 94 HG22 THR 17 2HG2 THR 17 -2.996 13.025 0.492 95 HG23 THR 17 3HG2 THR 17 -2.185 12.088 1.746 96 H TYR 18 H TYR 18 -2.450 8.650 -0.703 97 HA TYR 18 HA TYR 18 -4.788 7.311 -1.882 98 HB2 TYR 18 1HB TYR 18 -1.899 6.740 -2.574 99 HB3 TYR 18 2HB TYR 18 -3.296 5.861 -3.185 100 HD1 TYR 18 1HD TYR 18 -2.028 9.375 -2.987 101 HD2 TYR 18 2HD TYR 18 -4.087 6.436 -5.273 102 HE1 TYR 18 1HE TYR 18 -2.196 10.959 -4.861 103 HE2 TYR 18 2HE TYR 18 -4.260 8.012 -7.154 104 HH TYR 18 HH TYR 18 -3.212 9.993 -7.998 105 H CYS 19 H CYS 19 -1.604 6.187 -0.770 106 HA CYS 19 HA CYS 19 -2.498 3.882 0.477 107 HB2 CYS 19 1HB CYS 19 -0.116 4.450 -0.049 108 HB3 CYS 19 2HB CYS 19 -0.115 5.530 1.342 109 H LEU 20 H LEU 20 -2.600 3.347 2.769 110 HA LEU 20 HA LEU 20 -4.442 4.839 4.184 111 HB2 LEU 20 1HB LEU 20 -2.359 3.070 5.446 112 HB3 LEU 20 2HB LEU 20 -3.960 3.457 6.073 113 HG LEU 20 HG LEU 20 -4.720 2.277 3.823 114 HD11 LEU 20 1HD1 LEU 20 -2.952 0.206 3.916 115 HD12 LEU 20 2HD1 LEU 20 -1.888 1.600 4.101 116 HD13 LEU 20 3HD1 LEU 20 -2.954 1.484 2.701 117 HD21 LEU 20 1HD2 LEU 20 -5.641 1.140 5.506 118 HD22 LEU 20 2HD2 LEU 20 -4.248 1.403 6.557 119 HD23 LEU 20 3HD2 LEU 20 -4.243 0.070 5.400 120 H CYS 21 H CYS 21 -0.939 5.047 4.202 121 HA CYS 21 HA CYS 21 -0.455 6.530 6.465 122 HB2 CYS 21 1HB CYS 21 0.843 6.873 3.752 123 HB3 CYS 21 2HB CYS 21 1.502 7.452 5.279 124 H HIS 22 H HIS 22 -2.191 7.461 3.656 125 HA HIS 22 HA HIS 22 -3.299 9.361 3.077 126 HB2 HIS 22 1HB HIS 22 -2.845 9.850 6.010 127 HB3 HIS 22 2HB HIS 22 -3.639 11.055 5.000 128 HD1 HIS 22 1HD HIS 22 -5.657 9.680 3.437 129 HD2 HIS 22 2HD HIS 22 -4.720 8.394 7.276 130 HE1 HIS 22 1HE HIS 22 -7.653 8.360 4.210 131 HE2 HIS 22 2HE HIS 22 -7.098 7.665 6.566 132 H GLN 23 H GLN 23 -0.728 9.291 2.244 133 HA GLN 23 HA GLN 23 0.154 12.080 2.583 134 HB2 GLN 23 1HB GLN 23 1.768 9.552 2.483 135 HB3 GLN 23 2HB GLN 23 2.477 11.081 1.981 136 HG2 GLN 23 1HG GLN 23 1.111 10.976 4.612 137 HG3 GLN 23 2HG GLN 23 2.680 10.189 4.453 138 HE21 GLN 23 1HE2 GLN 23 4.440 11.519 3.581 139 HE22 GLN 23 2HE2 GLN 23 4.480 13.199 3.984 140 H VAL 24 H VAL 24 1.818 12.566 0.686 141 HA VAL 24 HA VAL 24 0.274 12.405 -1.721 142 HB VAL 24 HB VAL 24 1.904 13.817 -2.720 143 HG11 VAL 24 1HG1 VAL 24 2.319 15.494 -0.745 144 HG12 VAL 24 2HG1 VAL 24 0.686 15.193 -1.342 145 HG13 VAL 24 3HG1 VAL 24 1.249 14.399 0.129 146 HG21 VAL 24 1HG2 VAL 24 4.042 14.342 -1.410 147 HG22 VAL 24 2HG2 VAL 24 3.703 12.860 -0.515 148 HG23 VAL 24 3HG2 VAL 24 3.960 12.798 -2.258 149 H SER 25 H SER 25 1.335 11.789 -3.823 150 HA SER 25 HA SER 25 2.085 9.065 -3.736 151 HB2 SER 25 1HB SER 25 0.919 10.372 -5.637 152 HB3 SER 25 2HB SER 25 2.548 10.844 -6.121 153 HG SER 25 HG SER 25 2.834 8.924 -6.915 154 H TYR 26 H TYR 26 3.957 8.629 -2.680 155 HA TYR 26 HA TYR 26 6.416 9.655 -3.912 156 HB2 TYR 26 1HB TYR 26 7.458 10.025 -1.779 157 HB3 TYR 26 2HB TYR 26 5.930 10.898 -1.791 158 HD1 TYR 26 1HD TYR 26 7.339 7.594 -0.760 159 HD2 TYR 26 2HD TYR 26 4.519 10.682 0.029 160 HE1 TYR 26 1HE TYR 26 6.678 6.452 1.315 161 HE2 TYR 26 2HE TYR 26 3.852 9.549 2.108 162 HH TYR 26 HH TYR 26 5.620 7.192 3.567 163 H GLY 27 H GLY 27 8.357 8.334 -3.189 164 HA2 GLY 27 1HA GLY 27 9.401 6.287 -3.279 165 HA3 GLY 27 2HA GLY 27 8.244 5.832 -2.037 166 H GLU 28 H GLU 28 8.971 3.816 -3.522 167 HA GLU 28 HA GLU 28 7.711 3.418 -5.987 168 HB2 GLU 28 1HB GLU 28 8.611 1.495 -3.849 169 HB3 GLU 28 2HB GLU 28 7.906 0.947 -5.363 170 HG2 GLU 28 1HG GLU 28 9.717 2.351 -6.498 171 HG3 GLU 28 2HG GLU 28 10.491 2.389 -4.915 172 H MET 29 H MET 29 5.705 2.813 -6.588 173 HA MET 29 HA MET 29 3.797 1.993 -4.518 174 HB2 MET 29 1HB MET 29 3.211 4.106 -6.599 175 HB3 MET 29 2HB MET 29 2.098 3.510 -5.375 176 HG2 MET 29 1HG MET 29 3.736 4.358 -3.653 177 HG3 MET 29 2HG MET 29 4.565 5.171 -4.979 178 HE1 MET 29 1HE MET 29 0.184 5.883 -3.873 179 HE2 MET 29 2HE MET 29 1.074 4.361 -3.838 180 HE3 MET 29 3HE MET 29 1.283 5.535 -2.538 181 H ILE 30 H ILE 30 1.806 1.044 -5.437 182 HA ILE 30 HA ILE 30 2.199 -0.067 -8.130 183 HB ILE 30 HB ILE 30 1.711 -2.261 -7.487 184 HG12 ILE 30 1HG1 ILE 30 -0.196 -1.727 -6.018 185 HG13 ILE 30 2HG1 ILE 30 0.880 -2.909 -5.281 186 HG21 ILE 30 1HG2 ILE 30 3.290 -2.743 -5.595 187 HG22 ILE 30 2HG2 ILE 30 3.959 -1.766 -6.901 188 HG23 ILE 30 3HG2 ILE 30 3.464 -1.001 -5.391 189 HD11 ILE 30 1HD1 ILE 30 0.480 -0.033 -4.574 190 HD12 ILE 30 2HD1 ILE 30 0.366 -1.463 -3.547 191 HD13 ILE 30 3HD1 ILE 30 1.942 -0.897 -4.099 192 H GLY 31 H GLY 31 0.113 -1.258 -8.836 193 HA2 GLY 31 1HA GLY 31 -2.198 0.386 -8.001 194 HA3 GLY 31 2HA GLY 31 -1.915 -0.095 -9.667 195 H CYS 32 H CYS 32 -3.304 -0.950 -6.668 196 HA CYS 32 HA CYS 32 -3.509 -3.620 -6.530 197 HB2 CYS 32 1HB CYS 32 -4.740 -2.003 -5.085 198 HB3 CYS 32 2HB CYS 32 -5.916 -1.795 -6.379 199 H ASP 33 H ASP 33 -4.364 -5.298 -7.631 200 HA ASP 33 HA ASP 33 -4.947 -5.033 -10.367 201 HB2 ASP 33 1HB ASP 33 -4.065 -7.103 -9.339 202 HB3 ASP 33 2HB ASP 33 -5.612 -7.345 -8.532 203 H ASN 34 H ASN 34 -7.044 -5.415 -7.545 204 HA ASN 34 HA ASN 34 -9.478 -5.780 -8.832 205 HB2 ASN 34 1HB ASN 34 -8.866 -5.795 -6.294 206 HB3 ASN 34 2HB ASN 34 -9.286 -4.086 -6.362 207 HD21 ASN 34 1HD2 ASN 34 -10.923 -4.784 -4.802 208 HD22 ASN 34 2HD2 ASN 34 -12.426 -5.393 -5.400 209 HA PRO 35 HA PRO 35 -9.810 -1.867 -10.952 210 HB2 PRO 35 1HB PRO 35 -12.201 -2.403 -12.121 211 HB3 PRO 35 2HB PRO 35 -10.673 -3.065 -12.712 212 HG2 PRO 35 1HG PRO 35 -12.754 -4.351 -10.987 213 HG3 PRO 35 2HG PRO 35 -11.858 -5.034 -12.356 214 HD2 PRO 35 1HD PRO 35 -11.193 -5.543 -9.781 215 HD3 PRO 35 2HD PRO 35 -9.986 -5.462 -11.081 216 H ASP 36 H ASP 36 -12.053 -3.248 -8.685 217 HA ASP 36 HA ASP 36 -13.772 -0.952 -8.544 218 HB2 ASP 36 1HB ASP 36 -14.551 -3.248 -8.003 219 HB3 ASP 36 2HB ASP 36 -13.493 -3.248 -6.594 220 H CYS 37 H CYS 37 -10.995 -2.167 -6.766 221 HA CYS 37 HA CYS 37 -10.989 -0.731 -4.466 222 HB2 CYS 37 1HB CYS 37 -9.171 -2.285 -5.502 223 HB3 CYS 37 2HB CYS 37 -8.486 -0.787 -6.123 224 H SER 38 H SER 38 -11.498 1.323 -4.120 225 HA SER 38 HA SER 38 -11.418 3.358 -6.051 226 HB2 SER 38 1HB SER 38 -11.787 4.900 -4.119 227 HB3 SER 38 2HB SER 38 -12.898 3.531 -4.143 228 HG SER 38 HG SER 38 -10.572 3.819 -2.543 229 H ILE 39 H ILE 39 -9.232 2.663 -3.335 230 HA ILE 39 HA ILE 39 -7.452 4.800 -3.868 231 HB ILE 39 HB ILE 39 -6.929 2.216 -2.394 232 HG12 ILE 39 1HG1 ILE 39 -7.637 4.943 -1.296 233 HG13 ILE 39 2HG1 ILE 39 -8.796 3.635 -1.507 234 HG21 ILE 39 1HG2 ILE 39 -4.979 3.732 -3.274 235 HG22 ILE 39 2HG2 ILE 39 -5.427 4.741 -1.900 236 HG23 ILE 39 3HG2 ILE 39 -4.935 3.068 -1.641 237 HD11 ILE 39 1HD1 ILE 39 -6.926 4.112 0.629 238 HD12 ILE 39 2HD1 ILE 39 -8.294 3.001 0.552 239 HD13 ILE 39 3HD1 ILE 39 -6.717 2.502 -0.060 240 H GLU 40 H GLU 40 -6.935 1.294 -4.316 241 HA GLU 40 HA GLU 40 -5.524 0.148 -5.696 242 HB2 GLU 40 1HB GLU 40 -7.334 1.005 -7.247 243 HB3 GLU 40 2HB GLU 40 -6.220 2.285 -7.709 244 HG2 GLU 40 1HG GLU 40 -4.624 0.613 -8.498 245 HG3 GLU 40 2HG GLU 40 -5.743 -0.669 -8.039 246 H TRP 41 H TRP 41 -4.169 1.919 -4.037 247 HA TRP 41 HA TRP 41 -1.690 2.149 -5.412 248 HB2 TRP 41 1HB TRP 41 -3.289 4.643 -4.898 249 HB3 TRP 41 2HB TRP 41 -1.528 4.689 -4.921 250 HD1 TRP 41 HD TRP 41 -4.501 4.730 -7.183 251 HE1 TRP 41 1HE TRP 41 -3.734 4.743 -9.640 252 HE3 TRP 41 3HE TRP 41 0.450 3.658 -6.494 253 HZ2 TRP 41 2HZ TRP 41 -1.347 4.351 -11.094 254 HZ3 TRP 41 3HZ TRP 41 1.907 3.494 -8.470 255 HH2 TRP 41 HH TRP 41 1.025 3.833 -10.721 256 H PHE 42 H PHE 42 -0.181 1.719 -3.950 257 HA PHE 42 HA PHE 42 -0.432 2.785 -1.243 258 HB2 PHE 42 1HB PHE 42 -0.026 -0.151 -1.846 259 HB3 PHE 42 2HB PHE 42 0.104 0.579 -0.250 260 HD1 PHE 42 1HD PHE 42 -2.249 -0.049 -3.040 261 HD2 PHE 42 2HD PHE 42 -1.788 0.894 1.085 262 HE1 PHE 42 1HE PHE 42 -4.663 -0.379 -2.698 263 HE2 PHE 42 2HE PHE 42 -4.201 0.565 1.434 264 HZ PHE 42 HZ PHE 42 -5.642 -0.074 -0.459 265 H HIS 43 H HIS 43 1.640 2.035 0.044 266 HA HIS 43 HA HIS 43 3.917 2.697 -1.682 267 HB2 HIS 43 1HB HIS 43 3.620 2.842 1.326 268 HB3 HIS 43 2HB HIS 43 5.070 3.293 0.432 269 HD2 HIS 43 2HD HIS 43 4.248 5.399 -1.649 270 HE1 HIS 43 1HE HIS 43 1.674 7.135 1.242 271 HE2 HIS 43 2HE HIS 43 2.798 7.438 -0.991 272 H PHE 44 H PHE 44 5.599 1.347 -1.969 273 HA PHE 44 HA PHE 44 5.413 -1.362 -1.651 274 HB2 PHE 44 1HB PHE 44 7.734 0.493 -1.970 275 HB3 PHE 44 2HB PHE 44 8.052 -1.204 -1.627 276 HD1 PHE 44 2HD PHE 44 5.424 0.386 -3.728 277 HD2 PHE 44 1HD PHE 44 8.857 -2.126 -3.583 278 HE1 PHE 44 2HE PHE 44 5.132 -0.146 -6.113 279 HE2 PHE 44 1HE PHE 44 8.571 -2.661 -5.968 280 HZ PHE 44 HZ PHE 44 6.706 -1.672 -7.235 281 H ALA 45 H ALA 45 7.530 0.668 0.382 282 HA ALA 45 HA ALA 45 8.263 -1.137 2.277 283 HB1 ALA 45 1HB ALA 45 7.475 1.693 2.944 284 HB2 ALA 45 2HB ALA 45 8.658 0.680 3.773 285 HB3 ALA 45 3HB ALA 45 8.981 1.254 2.137 286 H CYS 46 H CYS 46 5.276 0.794 2.310 287 HA CYS 46 HA CYS 46 4.260 -0.152 4.739 288 HB2 CYS 46 1HB CYS 46 2.873 0.901 2.272 289 HB3 CYS 46 2HB CYS 46 2.018 0.519 3.763 290 H VAL 47 H VAL 47 3.520 -1.238 1.425 291 HA VAL 47 HA VAL 47 2.060 -3.529 2.398 292 HB VAL 47 HB VAL 47 1.844 -4.135 0.009 293 HG11 VAL 47 1HG1 VAL 47 0.972 -1.591 1.186 294 HG12 VAL 47 2HG1 VAL 47 0.846 -1.680 -0.572 295 HG13 VAL 47 3HG1 VAL 47 0.030 -2.878 0.434 296 HG21 VAL 47 1HG2 VAL 47 2.622 -2.020 -1.465 297 HG22 VAL 47 2HG2 VAL 47 3.898 -2.033 -0.247 298 HG23 VAL 47 3HG2 VAL 47 3.607 -3.464 -1.235 299 H GLY 48 H GLY 48 4.769 -3.443 3.277 300 HA2 GLY 48 1HA GLY 48 6.787 -4.610 3.156 301 HA3 GLY 48 2HA GLY 48 5.651 -5.948 3.250 302 H LEU 49 H LEU 49 6.441 -3.677 0.626 303 HA LEU 49 HA LEU 49 6.981 -6.012 -1.085 304 HB2 LEU 49 1HB LEU 49 5.666 -3.396 -1.568 305 HB3 LEU 49 2HB LEU 49 6.609 -4.090 -2.886 306 HG LEU 49 HG LEU 49 4.223 -5.343 -1.528 307 HD11 LEU 49 1HD1 LEU 49 3.845 -5.109 -4.285 308 HD12 LEU 49 2HD1 LEU 49 4.520 -3.565 -3.769 309 HD13 LEU 49 3HD1 LEU 49 3.052 -4.182 -3.011 310 HD21 LEU 49 1HD2 LEU 49 4.932 -6.672 -3.919 311 HD22 LEU 49 2HD2 LEU 49 4.934 -7.307 -2.274 312 HD23 LEU 49 3HD2 LEU 49 6.388 -6.554 -2.931 313 H THR 50 H THR 50 9.174 -6.177 -0.567 314 HA THR 50 HA THR 50 11.036 -4.112 -0.503 315 HB THR 50 HB THR 50 11.546 -6.948 -1.423 316 HG1 THR 50 1HG THR 50 10.704 -6.052 0.931 317 HG21 THR 50 1HG2 THR 50 13.272 -4.838 -1.495 318 HG22 THR 50 2HG2 THR 50 13.755 -6.524 -1.314 319 HG23 THR 50 3HG2 THR 50 13.587 -5.498 0.110 320 H THR 51 H THR 51 9.831 -5.998 -3.230 321 HA THR 51 HA THR 51 10.889 -3.974 -5.047 322 HB THR 51 HB THR 51 11.738 -5.715 -6.611 323 HG1 THR 51 1HG THR 51 10.767 -7.347 -4.608 324 HG21 THR 51 1HG2 THR 51 13.761 -6.339 -5.150 325 HG22 THR 51 2HG2 THR 51 12.969 -5.392 -3.891 326 HG23 THR 51 3HG2 THR 51 13.429 -4.627 -5.411 327 H LYS 52 H LYS 52 9.944 -4.102 -7.206 328 HA LYS 52 HA LYS 52 7.189 -4.318 -7.203 329 HB2 LYS 52 1HB LYS 52 8.912 -3.298 -8.941 330 HB3 LYS 52 2HB LYS 52 8.652 -4.836 -9.753 331 HG2 LYS 52 1HG LYS 52 6.344 -4.407 -10.032 332 HG3 LYS 52 2HG LYS 52 6.397 -3.029 -8.931 333 HD2 LYS 52 1HD LYS 52 8.105 -3.021 -11.381 334 HD3 LYS 52 2HD LYS 52 6.384 -2.655 -11.521 335 HE2 LYS 52 1HE LYS 52 6.790 -0.979 -9.621 336 HE3 LYS 52 2HE LYS 52 8.503 -1.183 -9.986 337 HZ1 LYS 52 1HZ LYS 52 6.542 0.343 -11.367 338 HZ2 LYS 52 2HZ LYS 52 7.291 -0.754 -12.413 339 HZ3 LYS 52 3HZ LYS 52 8.225 0.354 -11.541 340 HA PRO 53 HA PRO 53 6.744 -8.763 -7.168 341 HB2 PRO 53 1HB PRO 53 4.030 -8.750 -7.100 342 HB3 PRO 53 2HB PRO 53 5.028 -8.432 -5.677 343 HG2 PRO 53 1HG PRO 53 3.648 -6.494 -7.494 344 HG3 PRO 53 2HG PRO 53 3.757 -6.485 -5.724 345 HD2 PRO 53 1HD PRO 53 5.320 -4.922 -7.288 346 HD3 PRO 53 2HD PRO 53 5.875 -5.576 -5.734 347 H ARG 54 H ARG 54 5.654 -10.374 -8.518 348 HA ARG 54 HA ARG 54 5.585 -9.510 -11.294 349 HB2 ARG 54 1HB ARG 54 6.737 -11.649 -10.254 350 HB3 ARG 54 2HB ARG 54 5.137 -12.346 -10.471 351 HG2 ARG 54 1HG ARG 54 5.217 -11.838 -12.847 352 HG3 ARG 54 2HG ARG 54 6.803 -11.092 -12.643 353 HD2 ARG 54 1HD ARG 54 7.248 -13.254 -13.439 354 HD3 ARG 54 2HD ARG 54 7.558 -13.334 -11.705 355 HE ARG 54 HE ARG 54 5.017 -14.143 -11.828 356 HH11 ARG 54 2HH1 ARG 54 7.808 -15.056 -13.698 357 HH12 ARG 54 1HH1 ARG 54 7.247 -16.669 -13.990 358 HH21 ARG 54 2HH2 ARG 54 4.268 -16.265 -12.204 359 HH22 ARG 54 1HH2 ARG 54 5.233 -17.355 -13.140 360 H GLY 55 H GLY 55 3.888 -10.469 -12.740 361 HA2 GLY 55 1HA GLY 55 1.674 -10.470 -13.360 362 HA3 GLY 55 2HA GLY 55 1.450 -11.469 -11.932 363 H LYS 56 H LYS 56 -0.497 -10.654 -11.282 364 HA LYS 56 HA LYS 56 -0.817 -7.782 -10.949 365 HB2 LYS 56 1HB LYS 56 -3.082 -8.163 -10.782 366 HB3 LYS 56 2HB LYS 56 -2.597 -9.530 -11.776 367 HG2 LYS 56 1HG LYS 56 -2.652 -9.864 -8.820 368 HG3 LYS 56 2HG LYS 56 -4.178 -9.842 -9.707 369 HD2 LYS 56 1HD LYS 56 -1.876 -11.617 -10.485 370 HD3 LYS 56 2HD LYS 56 -3.114 -12.117 -9.330 371 HE2 LYS 56 1HE LYS 56 -3.924 -11.040 -11.996 372 HE3 LYS 56 2HE LYS 56 -3.356 -12.704 -11.866 373 HZ1 LYS 56 1HZ LYS 56 -5.154 -13.319 -10.623 374 HZ2 LYS 56 2HZ LYS 56 -5.870 -12.134 -11.595 375 HZ3 LYS 56 3HZ LYS 56 -5.422 -11.767 -10.005 376 H TRP 57 H TRP 57 -1.931 -7.084 -8.844 377 HA TRP 57 HA TRP 57 -1.050 -8.561 -6.498 378 HB2 TRP 57 1HB TRP 57 0.911 -7.251 -6.877 379 HB3 TRP 57 2HB TRP 57 -0.039 -5.803 -7.196 380 HD1 TRP 57 HD TRP 57 1.256 -7.963 -4.321 381 HE1 TRP 57 1HE TRP 57 1.002 -6.648 -2.123 382 HE3 TRP 57 3HE TRP 57 -1.428 -3.976 -6.065 383 HZ2 TRP 57 2HZ TRP 57 -0.180 -4.240 -1.244 384 HZ3 TRP 57 3HZ TRP 57 -2.082 -2.211 -4.480 385 HH2 TRP 57 HH TRP 57 -1.470 -2.342 -2.120 386 H PHE 58 H PHE 58 -2.549 -8.456 -4.958 387 HA PHE 58 HA PHE 58 -4.591 -6.349 -5.158 388 HB2 PHE 58 1HB PHE 58 -4.787 -9.046 -3.802 389 HB3 PHE 58 2HB PHE 58 -6.091 -7.878 -3.984 390 HD1 PHE 58 1HD PHE 58 -3.873 -10.193 -5.804 391 HD2 PHE 58 2HD PHE 58 -7.346 -7.740 -5.981 392 HE1 PHE 58 1HE PHE 58 -4.485 -11.221 -7.954 393 HE2 PHE 58 2HE PHE 58 -7.965 -8.764 -8.130 394 HZ PHE 58 HZ PHE 58 -6.534 -10.508 -9.120 395 H CYS 59 H CYS 59 -4.435 -4.775 -3.718 396 HA CYS 59 HA CYS 59 -2.689 -4.520 -1.654 397 HB2 CYS 59 1HB CYS 59 -3.994 -2.718 -0.849 398 HB3 CYS 59 2HB CYS 59 -4.304 -2.780 -2.581 399 HA PRO 60 HA PRO 60 -3.847 -7.151 1.662 400 HB2 PRO 60 1HB PRO 60 -3.189 -5.631 3.813 401 HB3 PRO 60 2HB PRO 60 -1.982 -6.389 2.767 402 HG2 PRO 60 1HG PRO 60 -2.978 -3.566 2.773 403 HG3 PRO 60 2HG PRO 60 -1.318 -4.166 2.607 404 HD2 PRO 60 1HD PRO 60 -2.797 -3.368 0.484 405 HD3 PRO 60 2HD PRO 60 -1.586 -4.662 0.372 406 H ARG 61 H ARG 61 -5.615 -4.505 0.854 407 HA ARG 61 HA ARG 61 -7.426 -4.712 3.157 408 HB2 ARG 61 1HB ARG 61 -7.073 -2.617 1.022 409 HB3 ARG 61 2HB ARG 61 -8.494 -2.658 2.057 410 HG2 ARG 61 1HG ARG 61 -7.144 -2.341 4.017 411 HG3 ARG 61 2HG ARG 61 -5.665 -2.471 3.064 412 HD2 ARG 61 1HD ARG 61 -6.081 -0.153 3.494 413 HD3 ARG 61 2HD ARG 61 -6.389 -0.463 1.786 414 HE ARG 61 HE ARG 61 -8.834 -0.731 2.887 415 HH11 ARG 61 2HH1 ARG 61 -6.399 1.747 3.108 416 HH12 ARG 61 1HH1 ARG 61 -7.539 3.029 3.345 417 HH21 ARG 61 2HH2 ARG 61 -10.345 0.949 3.200 418 HH22 ARG 61 1HH2 ARG 61 -9.784 2.574 3.398 419 H CYS 62 H CYS 62 -7.123 -5.407 -0.213 420 HA CYS 62 HA CYS 62 -9.983 -5.943 -0.489 421 HB2 CYS 62 1HB CYS 62 -7.726 -5.985 -2.501 422 HB3 CYS 62 2HB CYS 62 -9.397 -6.388 -2.883 423 H SER 63 H SER 63 -6.860 -7.602 -0.688 424 HA SER 63 HA SER 63 -8.149 -10.179 -1.027 425 HB2 SER 63 1HB SER 63 -5.861 -9.342 -2.032 426 HB3 SER 63 2HB SER 63 -5.219 -9.885 -0.482 427 HG SER 63 HG SER 63 -6.157 -11.348 -2.614 428 H GLN 64 H GLN 64 -8.290 -8.427 1.483 429 HA GLN 64 HA GLN 64 -7.006 -9.213 3.672 430 HB2 GLN 64 1HB GLN 64 -9.032 -8.961 4.968 431 HB3 GLN 64 2HB GLN 64 -9.022 -7.772 3.672 432 HG2 GLN 64 1HG GLN 64 -10.543 -10.370 3.653 433 HG3 GLN 64 2HG GLN 64 -11.224 -8.778 3.987 434 HE21 GLN 64 1HE2 GLN 64 -11.327 -7.248 2.294 435 HE22 GLN 64 2HE2 GLN 64 -11.313 -7.748 0.641 436 H GLU 65 H GLU 65 -9.510 -11.187 2.108 437 HA GLU 65 HA GLU 65 -9.433 -13.333 3.915 438 HB2 GLU 65 1HB GLU 65 -11.219 -12.973 2.233 439 HB3 GLU 65 2HB GLU 65 -10.086 -13.419 0.965 440 HG2 GLU 65 1HG GLU 65 -9.900 -15.651 1.854 441 HG3 GLU 65 2HG GLU 65 -10.924 -15.222 3.223 442 H SER 66 H SER 66 -7.806 -14.644 4.370 443 HA SER 66 HA SER 66 -5.742 -15.641 4.228 444 HB2 SER 66 1HB SER 66 -7.261 -16.562 1.802 445 HB3 SER 66 2HB SER 66 -5.632 -17.156 2.119 446 HG SER 66 HG SER 66 -7.417 -17.222 4.246 447 H GLY 67 H GLY 67 -5.517 -12.989 3.493 448 HA2 GLY 67 1HA GLY 67 -3.731 -13.068 1.144 449 HA3 GLY 67 2HA GLY 67 -4.567 -11.631 1.714 450 HA PRO 68 HA PRO 68 -0.207 -11.488 3.280 451 HB2 PRO 68 1HB PRO 68 0.200 -8.893 2.598 452 HB3 PRO 68 2HB PRO 68 0.475 -10.234 1.480 453 HG2 PRO 68 1HG PRO 68 -1.882 -8.402 1.697 454 HG3 PRO 68 2HG PRO 68 -1.047 -8.982 0.245 455 HD2 PRO 68 1HD PRO 68 -3.376 -10.055 1.112 456 HD3 PRO 68 2HD PRO 68 -2.137 -11.013 0.276 457 H SER 69 H SER 69 -1.234 -11.688 5.375 458 HA SER 69 HA SER 69 -2.036 -9.145 6.606 459 HB2 SER 69 1HB SER 69 -2.980 -10.535 8.414 460 HB3 SER 69 2HB SER 69 -3.642 -10.982 6.841 461 HG SER 69 HG SER 69 -2.294 -12.500 8.595 462 H SER 70 H SER 70 -1.401 -8.974 8.990 463 HA SER 70 HA SER 70 1.439 -9.715 9.254 464 HB2 SER 70 1HB SER 70 1.002 -7.271 9.008 465 HB3 SER 70 2HB SER 70 0.041 -7.328 10.485 466 HG SER 70 HG SER 70 2.733 -8.194 10.388 467 H GLY 71 H GLY 71 -1.491 -9.016 11.158 468 HA2 GLY 71 1HA GLY 71 -1.895 -11.126 12.651 469 HA3 GLY 71 2HA GLY 71 -0.387 -10.586 13.374 Start of MODEL 5 1 H1 GLY 1 H GLY 1 24.563 3.121 4.212 2 HA2 GLY 1 1HA GLY 1 25.333 1.343 5.995 3 HA3 GLY 1 2HA GLY 1 26.543 2.582 6.298 4 H SER 2 H SER 2 26.047 4.252 7.600 5 HA SER 2 HA SER 2 23.265 4.411 8.556 6 HB2 SER 2 1HB SER 2 24.806 3.695 10.308 7 HB3 SER 2 2HB SER 2 25.834 5.095 10.005 8 HG SER 2 HG SER 2 23.632 6.222 10.439 9 H SER 3 H SER 3 22.506 5.939 7.120 10 HA SER 3 HA SER 3 23.913 8.504 6.972 11 HB2 SER 3 1HB SER 3 21.571 7.454 5.364 12 HB3 SER 3 2HB SER 3 22.365 9.008 5.110 13 HG SER 3 HG SER 3 23.144 6.496 4.350 14 H GLY 4 H GLY 4 22.954 10.449 7.541 15 HA2 GLY 4 1HA GLY 4 21.085 10.324 9.692 16 HA3 GLY 4 2HA GLY 4 21.727 11.786 8.959 17 H SER 5 H SER 5 18.960 10.879 9.803 18 HA SER 5 HA SER 5 17.606 11.916 7.448 19 HB2 SER 5 1HB SER 5 17.264 9.136 8.486 20 HB3 SER 5 2HB SER 5 15.838 9.988 7.893 21 HG SER 5 HG SER 5 17.256 8.681 6.369 22 H SER 6 H SER 6 16.208 13.412 8.076 23 HA SER 6 HA SER 6 14.508 13.058 10.363 24 HB2 SER 6 1HB SER 6 16.513 13.834 11.513 25 HB3 SER 6 2HB SER 6 16.632 15.215 10.424 26 HG SER 6 HG SER 6 15.553 15.447 12.608 27 H GLY 7 H GLY 7 12.965 14.849 10.612 28 HA2 GLY 7 1HA GLY 7 12.269 17.036 9.592 29 HA3 GLY 7 2HA GLY 7 12.589 16.266 8.046 30 H ASP 8 H ASP 8 10.496 16.250 10.873 31 HA ASP 8 HA ASP 8 8.635 14.395 9.670 32 HB2 ASP 8 1HB ASP 8 9.052 14.497 12.137 33 HB3 ASP 8 2HB ASP 8 8.275 16.078 12.156 34 H MET 9 H MET 9 6.920 14.889 8.459 35 HA MET 9 HA MET 9 6.061 17.705 8.352 36 HB2 MET 9 1HB MET 9 6.427 15.723 6.114 37 HB3 MET 9 2HB MET 9 5.421 17.154 5.934 38 HG2 MET 9 1HG MET 9 7.519 18.436 6.728 39 HG3 MET 9 2HG MET 9 8.379 16.960 6.296 40 HE1 MET 9 1HE MET 9 9.847 18.066 4.861 41 HE2 MET 9 2HE MET 9 9.528 18.524 3.188 42 HE3 MET 9 3HE MET 9 9.262 19.687 4.487 43 HA PRO 10 HA PRO 10 2.158 15.978 9.574 44 HB2 PRO 10 1HB PRO 10 0.728 18.276 9.367 45 HB3 PRO 10 2HB PRO 10 1.826 17.946 10.712 46 HG2 PRO 10 1HG PRO 10 2.282 19.595 8.256 47 HG3 PRO 10 2HG PRO 10 2.725 19.946 9.937 48 HD2 PRO 10 1HD PRO 10 4.507 19.008 8.127 49 HD3 PRO 10 2HD PRO 10 4.601 18.609 9.854 50 H VAL 11 H VAL 11 -0.191 16.233 8.708 51 HA VAL 11 HA VAL 11 -0.070 15.822 5.807 52 HB VAL 11 HB VAL 11 -2.218 14.679 6.029 53 HG11 VAL 11 1HG1 VAL 11 0.255 13.828 7.151 54 HG12 VAL 11 2HG1 VAL 11 -1.061 13.156 8.115 55 HG13 VAL 11 3HG1 VAL 11 -0.998 12.859 6.377 56 HG21 VAL 11 1HG2 VAL 11 -2.124 15.886 8.704 57 HG22 VAL 11 2HG2 VAL 11 -3.509 15.435 7.710 58 HG23 VAL 11 3HG2 VAL 11 -2.672 14.210 8.664 59 H ASP 12 H ASP 12 -2.028 16.506 4.560 60 HA ASP 12 HA ASP 12 -3.674 18.608 5.553 61 HB2 ASP 12 1HB ASP 12 -2.648 20.207 3.686 62 HB3 ASP 12 2HB ASP 12 -2.036 20.194 5.338 63 HA PRO 13 HA PRO 13 -6.139 17.407 2.129 64 HB2 PRO 13 1HB PRO 13 -7.492 19.699 1.593 65 HB3 PRO 13 2HB PRO 13 -7.813 18.705 3.019 66 HG2 PRO 13 1HG PRO 13 -6.182 21.204 2.779 67 HG3 PRO 13 2HG PRO 13 -7.338 20.740 4.040 68 HD2 PRO 13 1HD PRO 13 -4.660 20.508 4.363 69 HD3 PRO 13 2HD PRO 13 -5.813 19.389 5.118 70 H ASN 14 H ASN 14 -3.894 20.012 1.804 71 HA ASN 14 HA ASN 14 -4.171 20.930 -0.740 72 HB2 ASN 14 1HB ASN 14 -2.329 21.425 1.003 73 HB3 ASN 14 2HB ASN 14 -1.459 20.087 0.258 74 HD21 ASN 14 1HD2 ASN 14 -0.084 22.212 0.092 75 HD22 ASN 14 2HD2 ASN 14 -0.192 23.004 -1.440 76 H GLU 15 H GLU 15 -2.219 18.061 0.103 77 HA GLU 15 HA GLU 15 -2.456 17.167 -2.682 78 HB2 GLU 15 1HB GLU 15 -0.471 16.689 -0.506 79 HB3 GLU 15 2HB GLU 15 -0.687 15.443 -1.728 80 HG2 GLU 15 1HG GLU 15 1.053 16.705 -2.569 81 HG3 GLU 15 2HG GLU 15 -0.349 17.346 -3.423 82 HA PRO 16 HA PRO 16 -5.292 13.985 -1.595 83 HB2 PRO 16 1HB PRO 16 -4.797 12.245 -3.620 84 HB3 PRO 16 2HB PRO 16 -5.675 13.762 -3.850 85 HG2 PRO 16 1HG PRO 16 -2.802 13.133 -4.409 86 HG3 PRO 16 2HG PRO 16 -3.959 14.049 -5.392 87 HD2 PRO 16 1HD PRO 16 -2.100 15.251 -3.832 88 HD3 PRO 16 2HD PRO 16 -3.694 15.968 -4.142 89 H THR 17 H THR 17 -5.403 11.874 -0.751 90 HA THR 17 HA THR 17 -2.805 10.585 -0.226 91 HB THR 17 HB THR 17 -3.836 9.849 1.989 92 HG1 THR 17 1HG THR 17 -5.430 12.134 1.921 93 HG21 THR 17 1HG2 THR 17 -2.714 12.449 1.241 94 HG22 THR 17 2HG2 THR 17 -2.250 11.344 2.535 95 HG23 THR 17 3HG2 THR 17 -3.593 12.462 2.769 96 H TYR 18 H TYR 18 -2.700 8.480 -0.698 97 HA TYR 18 HA TYR 18 -5.214 7.093 -1.343 98 HB2 TYR 18 1HB TYR 18 -2.431 6.428 -2.318 99 HB3 TYR 18 2HB TYR 18 -3.938 5.699 -2.859 100 HD1 TYR 18 1HD TYR 18 -2.233 9.013 -2.661 101 HD2 TYR 18 2HD TYR 18 -4.979 6.530 -4.758 102 HE1 TYR 18 1HE TYR 18 -2.413 10.715 -4.427 103 HE2 TYR 18 2HE TYR 18 -5.165 8.225 -6.531 104 HH TYR 18 HH TYR 18 -3.076 11.006 -6.644 105 H CYS 19 H CYS 19 -1.919 6.054 -0.470 106 HA CYS 19 HA CYS 19 -2.489 3.654 0.677 107 HB2 CYS 19 1HB CYS 19 -0.207 4.662 0.344 108 HB3 CYS 19 2HB CYS 19 -0.466 5.588 1.819 109 H LEU 20 H LEU 20 -2.433 3.033 3.021 110 HA LEU 20 HA LEU 20 -4.609 4.237 4.376 111 HB2 LEU 20 1HB LEU 20 -2.544 2.287 5.389 112 HB3 LEU 20 2HB LEU 20 -4.055 2.689 6.203 113 HG LEU 20 HG LEU 20 -5.037 1.853 3.853 114 HD11 LEU 20 1HD1 LEU 20 -3.721 -0.261 3.323 115 HD12 LEU 20 2HD1 LEU 20 -2.382 0.492 4.188 116 HD13 LEU 20 3HD1 LEU 20 -3.052 1.267 2.753 117 HD21 LEU 20 1HD2 LEU 20 -4.280 -0.311 5.732 118 HD22 LEU 20 2HD2 LEU 20 -5.849 0.090 5.033 119 HD23 LEU 20 3HD2 LEU 20 -5.214 1.038 6.379 120 H CYS 21 H CYS 21 -1.107 4.388 4.810 121 HA CYS 21 HA CYS 21 -0.955 5.709 7.232 122 HB2 CYS 21 1HB CYS 21 1.198 6.666 6.353 123 HB3 CYS 21 2HB CYS 21 1.050 4.920 6.184 124 H HIS 22 H HIS 22 -2.317 6.815 4.335 125 HA HIS 22 HA HIS 22 -3.302 8.778 3.739 126 HB2 HIS 22 1HB HIS 22 -2.779 9.560 6.614 127 HB3 HIS 22 2HB HIS 22 -3.844 10.411 5.499 128 HD1 HIS 22 1HD HIS 22 -5.852 8.745 4.518 129 HD2 HIS 22 2HD HIS 22 -4.091 7.772 8.153 130 HE1 HIS 22 1HE HIS 22 -7.474 7.198 5.657 131 HE2 HIS 22 2HE HIS 22 -6.426 6.690 7.891 132 H GLN 23 H GLN 23 -0.820 8.575 2.853 133 HA GLN 23 HA GLN 23 0.384 11.215 3.367 134 HB2 GLN 23 1HB GLN 23 1.756 8.635 2.597 135 HB3 GLN 23 2HB GLN 23 2.553 10.200 2.688 136 HG2 GLN 23 1HG GLN 23 1.537 10.151 5.135 137 HG3 GLN 23 2HG GLN 23 1.618 8.412 4.856 138 HE21 GLN 23 1HE2 GLN 23 3.192 8.213 6.474 139 HE22 GLN 23 2HE2 GLN 23 4.832 8.686 6.203 140 H VAL 24 H VAL 24 1.638 12.079 1.495 141 HA VAL 24 HA VAL 24 0.002 11.986 -0.865 142 HB VAL 24 HB VAL 24 1.400 13.731 -1.738 143 HG11 VAL 24 1HG1 VAL 24 1.176 14.248 1.219 144 HG12 VAL 24 2HG1 VAL 24 1.075 15.415 -0.101 145 HG13 VAL 24 3HG1 VAL 24 -0.214 14.234 0.134 146 HG21 VAL 24 1HG2 VAL 24 3.590 12.992 -1.287 147 HG22 VAL 24 2HG2 VAL 24 3.404 14.486 -0.368 148 HG23 VAL 24 3HG2 VAL 24 3.298 12.928 0.451 149 H SER 25 H SER 25 0.931 11.699 -3.042 150 HA SER 25 HA SER 25 2.018 9.187 -3.418 151 HB2 SER 25 1HB SER 25 0.872 10.403 -5.203 152 HB3 SER 25 2HB SER 25 2.184 11.579 -5.268 153 HG SER 25 HG SER 25 2.573 10.106 -6.866 154 H TYR 26 H TYR 26 3.960 8.376 -3.037 155 HA TYR 26 HA TYR 26 6.373 9.658 -3.784 156 HB2 TYR 26 1HB TYR 26 7.272 10.387 -1.788 157 HB3 TYR 26 2HB TYR 26 5.577 10.796 -1.549 158 HD1 TYR 26 1HD TYR 26 8.035 8.073 -0.878 159 HD2 TYR 26 2HD TYR 26 4.475 10.050 0.356 160 HE1 TYR 26 1HE TYR 26 8.008 6.725 1.179 161 HE2 TYR 26 2HE TYR 26 4.438 8.708 2.417 162 HH TYR 26 HH TYR 26 6.245 5.951 2.848 163 H GLY 27 H GLY 27 8.274 8.352 -3.299 164 HA2 GLY 27 1HA GLY 27 9.366 6.336 -3.208 165 HA3 GLY 27 2HA GLY 27 8.210 5.895 -1.960 166 H GLU 28 H GLU 28 8.916 3.826 -3.320 167 HA GLU 28 HA GLU 28 7.713 3.343 -5.806 168 HB2 GLU 28 1HB GLU 28 8.473 1.436 -3.590 169 HB3 GLU 28 2HB GLU 28 7.957 0.922 -5.190 170 HG2 GLU 28 1HG GLU 28 10.447 2.402 -4.421 171 HG3 GLU 28 2HG GLU 28 10.298 0.837 -5.218 172 H MET 29 H MET 29 5.705 2.791 -6.416 173 HA MET 29 HA MET 29 3.770 1.980 -4.369 174 HB2 MET 29 1HB MET 29 3.351 4.193 -6.384 175 HB3 MET 29 2HB MET 29 2.076 3.497 -5.394 176 HG2 MET 29 1HG MET 29 3.481 4.170 -3.388 177 HG3 MET 29 2HG MET 29 4.430 5.133 -4.519 178 HE1 MET 29 1HE MET 29 1.076 4.811 -2.533 179 HE2 MET 29 2HE MET 29 -0.010 5.818 -3.490 180 HE3 MET 29 3HE MET 29 0.613 4.309 -4.159 181 H ILE 30 H ILE 30 1.677 1.232 -5.431 182 HA ILE 30 HA ILE 30 2.125 0.076 -8.086 183 HB ILE 30 HB ILE 30 1.476 -2.117 -7.452 184 HG12 ILE 30 1HG1 ILE 30 -0.208 -1.253 -5.726 185 HG13 ILE 30 2HG1 ILE 30 0.621 -2.759 -5.347 186 HG21 ILE 30 1HG2 ILE 30 3.237 -2.774 -5.917 187 HG22 ILE 30 2HG2 ILE 30 3.822 -1.533 -7.023 188 HG23 ILE 30 3HG2 ILE 30 3.403 -1.108 -5.364 189 HD11 ILE 30 1HD1 ILE 30 0.357 -0.736 -3.620 190 HD12 ILE 30 2HD1 ILE 30 1.709 -1.869 -3.590 191 HD13 ILE 30 3HD1 ILE 30 1.895 -0.294 -4.360 192 H GLY 31 H GLY 31 0.073 -0.932 -8.953 193 HA2 GLY 31 1HA GLY 31 -2.237 0.687 -8.073 194 HA3 GLY 31 2HA GLY 31 -1.929 0.252 -9.748 195 H CYS 32 H CYS 32 -3.353 -0.693 -6.779 196 HA CYS 32 HA CYS 32 -3.621 -3.365 -6.776 197 HB2 CYS 32 1HB CYS 32 -4.799 -1.739 -5.258 198 HB3 CYS 32 2HB CYS 32 -6.012 -1.534 -6.517 199 H ASP 33 H ASP 33 -4.478 -4.953 -7.985 200 HA ASP 33 HA ASP 33 -5.093 -4.536 -10.684 201 HB2 ASP 33 1HB ASP 33 -6.076 -6.947 -9.187 202 HB3 ASP 33 2HB ASP 33 -5.448 -6.843 -10.830 203 H ASN 34 H ASN 34 -7.174 -4.904 -7.859 204 HA ASN 34 HA ASN 34 -9.629 -5.118 -9.192 205 HB2 ASN 34 1HB ASN 34 -9.053 -5.426 -6.677 206 HB3 ASN 34 2HB ASN 34 -9.353 -3.694 -6.560 207 HD21 ASN 34 1HD2 ASN 34 -11.012 -4.595 -5.053 208 HD22 ASN 34 2HD2 ASN 34 -12.562 -4.969 -5.718 209 HA PRO 35 HA PRO 35 -9.776 -1.002 -10.918 210 HB2 PRO 35 1HB PRO 35 -12.162 -1.330 -12.170 211 HB3 PRO 35 2HB PRO 35 -10.648 -1.985 -12.803 212 HG2 PRO 35 1HG PRO 35 -12.802 -3.362 -11.247 213 HG3 PRO 35 2HG PRO 35 -11.906 -3.935 -12.666 214 HD2 PRO 35 1HD PRO 35 -11.306 -4.725 -10.146 215 HD3 PRO 35 2HD PRO 35 -10.073 -4.557 -11.414 216 H ASP 36 H ASP 36 -12.160 -2.532 -8.884 217 HA ASP 36 HA ASP 36 -13.786 -0.202 -8.523 218 HB2 ASP 36 1HB ASP 36 -13.650 -2.927 -7.312 219 HB3 ASP 36 2HB ASP 36 -14.506 -1.665 -6.429 220 H CYS 37 H CYS 37 -11.189 -1.763 -6.699 221 HA CYS 37 HA CYS 37 -11.144 -0.549 -4.318 222 HB2 CYS 37 1HB CYS 37 -9.334 -2.008 -5.491 223 HB3 CYS 37 2HB CYS 37 -8.616 -0.463 -5.936 224 H SER 38 H SER 38 -11.262 1.449 -3.551 225 HA SER 38 HA SER 38 -11.302 3.712 -5.268 226 HB2 SER 38 1HB SER 38 -12.581 3.447 -3.092 227 HB3 SER 38 2HB SER 38 -11.061 3.766 -2.256 228 HG SER 38 HG SER 38 -12.191 5.691 -2.501 229 H ILE 39 H ILE 39 -9.031 2.677 -2.728 230 HA ILE 39 HA ILE 39 -7.180 4.779 -3.203 231 HB ILE 39 HB ILE 39 -6.609 2.111 -1.912 232 HG12 ILE 39 1HG1 ILE 39 -7.453 4.657 -0.525 233 HG13 ILE 39 2HG1 ILE 39 -8.589 3.385 -0.959 234 HG21 ILE 39 1HG2 ILE 39 -5.272 4.799 -1.629 235 HG22 ILE 39 2HG2 ILE 39 -4.851 3.340 -0.735 236 HG23 ILE 39 3HG2 ILE 39 -4.622 3.400 -2.482 237 HD11 ILE 39 1HD1 ILE 39 -7.074 3.601 1.374 238 HD12 ILE 39 2HD1 ILE 39 -8.077 2.243 0.861 239 HD13 ILE 39 3HD1 ILE 39 -6.360 2.274 0.458 240 H GLU 40 H GLU 40 -7.069 1.304 -4.001 241 HA GLU 40 HA GLU 40 -5.605 0.164 -5.377 242 HB2 GLU 40 1HB GLU 40 -5.804 1.204 -7.778 243 HB3 GLU 40 2HB GLU 40 -7.203 0.470 -7.008 244 HG2 GLU 40 1HG GLU 40 -8.070 2.616 -6.396 245 HG3 GLU 40 2HG GLU 40 -6.605 3.417 -6.962 246 H TRP 41 H TRP 41 -4.203 2.070 -3.819 247 HA TRP 41 HA TRP 41 -1.801 2.263 -5.348 248 HB2 TRP 41 1HB TRP 41 -3.440 4.724 -4.863 249 HB3 TRP 41 2HB TRP 41 -1.683 4.839 -4.868 250 HD1 TRP 41 HD TRP 41 -4.638 4.652 -7.164 251 HE1 TRP 41 1HE TRP 41 -3.841 4.665 -9.612 252 HE3 TRP 41 3HE TRP 41 0.365 3.937 -6.392 253 HZ2 TRP 41 2HZ TRP 41 -1.413 4.406 -11.028 254 HZ3 TRP 41 3HZ TRP 41 1.856 3.831 -8.347 255 HH2 TRP 41 HH TRP 41 0.984 4.060 -10.615 256 H PHE 42 H PHE 42 -0.407 1.557 -3.879 257 HA PHE 42 HA PHE 42 -0.379 2.842 -1.242 258 HB2 PHE 42 1HB PHE 42 -0.041 -0.136 -1.639 259 HB3 PHE 42 2HB PHE 42 -0.061 0.731 -0.108 260 HD1 PHE 42 1HD PHE 42 -2.156 -0.121 -3.046 261 HD2 PHE 42 2HD PHE 42 -2.060 1.076 1.037 262 HE1 PHE 42 1HE PHE 42 -4.588 -0.460 -2.894 263 HE2 PHE 42 2HE PHE 42 -4.492 0.739 1.196 264 HZ PHE 42 HZ PHE 42 -5.759 -0.031 -0.770 265 H HIS 43 H HIS 43 1.710 2.084 -0.035 266 HA HIS 43 HA HIS 43 3.923 2.439 -1.931 267 HB2 HIS 43 1HB HIS 43 4.020 2.798 1.066 268 HB3 HIS 43 2HB HIS 43 5.190 3.362 -0.123 269 HD2 HIS 43 2HD HIS 43 3.978 5.422 -1.906 270 HE1 HIS 43 1HE HIS 43 1.428 6.740 1.218 271 HE2 HIS 43 2HE HIS 43 2.340 7.243 -1.075 272 H PHE 44 H PHE 44 5.656 1.064 -1.996 273 HA PHE 44 HA PHE 44 5.298 -1.620 -1.446 274 HB2 PHE 44 1HB PHE 44 7.738 0.051 -1.951 275 HB3 PHE 44 2HB PHE 44 7.908 -1.655 -1.553 276 HD1 PHE 44 2HD PHE 44 5.518 0.242 -3.701 277 HD2 PHE 44 1HD PHE 44 8.421 -2.859 -3.433 278 HE1 PHE 44 2HE PHE 44 5.104 -0.344 -6.055 279 HE2 PHE 44 1HE PHE 44 8.013 -3.449 -5.787 280 HZ PHE 44 HZ PHE 44 6.352 -2.192 -7.100 281 H ALA 45 H ALA 45 7.575 0.496 0.308 282 HA ALA 45 HA ALA 45 8.290 -1.130 2.358 283 HB1 ALA 45 1HB ALA 45 7.643 1.610 3.223 284 HB2 ALA 45 2HB ALA 45 9.155 0.707 3.335 285 HB3 ALA 45 3HB ALA 45 8.698 1.477 1.816 286 H CYS 46 H CYS 46 5.365 0.887 2.256 287 HA CYS 46 HA CYS 46 4.395 0.198 4.802 288 HB2 CYS 46 1HB CYS 46 3.175 1.329 2.317 289 HB3 CYS 46 2HB CYS 46 2.114 0.790 3.614 290 H VAL 47 H VAL 47 3.547 -1.105 1.597 291 HA VAL 47 HA VAL 47 1.996 -3.239 2.785 292 HB VAL 47 HB VAL 47 1.664 -3.996 0.446 293 HG11 VAL 47 1HG1 VAL 47 0.961 -1.243 0.023 294 HG12 VAL 47 2HG1 VAL 47 -0.080 -2.619 0.397 295 HG13 VAL 47 3HG1 VAL 47 0.668 -1.697 1.702 296 HG21 VAL 47 1HG2 VAL 47 3.849 -2.128 -0.003 297 HG22 VAL 47 2HG2 VAL 47 3.265 -3.450 -1.014 298 HG23 VAL 47 3HG2 VAL 47 2.489 -1.869 -1.096 299 H GLY 48 H GLY 48 4.846 -3.120 3.408 300 HA2 GLY 48 1HA GLY 48 6.788 -4.401 3.256 301 HA3 GLY 48 2HA GLY 48 5.619 -5.659 3.627 302 H LEU 49 H LEU 49 6.668 -3.788 0.775 303 HA LEU 49 HA LEU 49 6.642 -6.312 -0.746 304 HB2 LEU 49 1HB LEU 49 5.791 -3.555 -1.417 305 HB3 LEU 49 2HB LEU 49 6.570 -4.486 -2.695 306 HG LEU 49 HG LEU 49 4.067 -5.274 -1.203 307 HD11 LEU 49 1HD1 LEU 49 2.847 -4.378 -2.856 308 HD12 LEU 49 2HD1 LEU 49 4.000 -4.851 -4.103 309 HD13 LEU 49 3HD1 LEU 49 4.281 -3.394 -3.151 310 HD21 LEU 49 1HD2 LEU 49 4.291 -7.324 -2.026 311 HD22 LEU 49 2HD2 LEU 49 5.931 -6.894 -2.513 312 HD23 LEU 49 3HD2 LEU 49 4.594 -6.699 -3.647 313 H THR 50 H THR 50 8.776 -6.870 -0.329 314 HA THR 50 HA THR 50 11.006 -5.225 -0.427 315 HB THR 50 HB THR 50 11.184 -7.479 0.424 316 HG1 THR 50 1HG THR 50 12.995 -6.386 -0.839 317 HG21 THR 50 1HG2 THR 50 11.360 -9.015 -1.968 318 HG22 THR 50 2HG2 THR 50 9.816 -8.163 -1.967 319 HG23 THR 50 3HG2 THR 50 10.247 -9.210 -0.615 320 H THR 51 H THR 51 9.205 -6.719 -3.032 321 HA THR 51 HA THR 51 10.647 -5.067 -4.949 322 HB THR 51 HB THR 51 10.807 -7.062 -6.529 323 HG1 THR 51 1HG THR 51 9.484 -8.369 -4.937 324 HG21 THR 51 1HG2 THR 51 12.988 -7.090 -6.027 325 HG22 THR 51 2HG2 THR 51 12.687 -7.779 -4.432 326 HG23 THR 51 3HG2 THR 51 12.589 -6.035 -4.673 327 H LYS 52 H LYS 52 9.625 -5.456 -7.225 328 HA LYS 52 HA LYS 52 6.816 -4.944 -6.941 329 HB2 LYS 52 1HB LYS 52 8.503 -3.913 -8.630 330 HB3 LYS 52 2HB LYS 52 8.196 -5.364 -9.575 331 HG2 LYS 52 1HG LYS 52 5.829 -4.830 -9.667 332 HG3 LYS 52 2HG LYS 52 6.100 -3.401 -8.667 333 HD2 LYS 52 1HD LYS 52 7.586 -3.769 -11.242 334 HD3 LYS 52 2HD LYS 52 5.943 -3.126 -11.236 335 HE2 LYS 52 1HE LYS 52 6.752 -1.423 -9.556 336 HE3 LYS 52 2HE LYS 52 8.388 -1.979 -9.905 337 HZ1 LYS 52 1HZ LYS 52 8.430 -0.740 -11.723 338 HZ2 LYS 52 2HZ LYS 52 6.930 -0.086 -11.295 339 HZ3 LYS 52 3HZ LYS 52 7.005 -1.436 -12.312 340 HA PRO 53 HA PRO 53 5.608 -9.206 -7.364 341 HB2 PRO 53 1HB PRO 53 2.933 -8.744 -7.391 342 HB3 PRO 53 2HB PRO 53 3.901 -8.702 -5.912 343 HG2 PRO 53 1HG PRO 53 2.946 -6.433 -7.616 344 HG3 PRO 53 2HG PRO 53 2.970 -6.572 -5.848 345 HD2 PRO 53 1HD PRO 53 4.841 -5.182 -7.226 346 HD3 PRO 53 2HD PRO 53 5.206 -6.031 -5.711 347 H ARG 54 H ARG 54 4.956 -10.539 -9.015 348 HA ARG 54 HA ARG 54 4.424 -9.220 -11.587 349 HB2 ARG 54 1HB ARG 54 6.399 -10.934 -11.059 350 HB3 ARG 54 2HB ARG 54 5.144 -12.104 -11.443 351 HG2 ARG 54 1HG ARG 54 6.006 -11.831 -13.516 352 HG3 ARG 54 2HG ARG 54 4.838 -10.508 -13.542 353 HD2 ARG 54 1HD ARG 54 6.561 -8.924 -12.940 354 HD3 ARG 54 2HD ARG 54 7.737 -10.226 -12.763 355 HE ARG 54 HE ARG 54 6.516 -10.005 -15.377 356 HH11 ARG 54 2HH1 ARG 54 9.180 -9.122 -13.316 357 HH12 ARG 54 1HH1 ARG 54 10.248 -8.763 -14.632 358 HH21 ARG 54 2HH2 ARG 54 7.914 -9.535 -17.118 359 HH22 ARG 54 1HH2 ARG 54 9.527 -8.998 -16.794 360 H GLY 55 H GLY 55 3.000 -10.416 -13.110 361 HA2 GLY 55 1HA GLY 55 1.054 -11.536 -13.645 362 HA3 GLY 55 2HA GLY 55 1.135 -12.329 -12.078 363 H LYS 56 H LYS 56 0.183 -11.324 -10.264 364 HA LYS 56 HA LYS 56 -1.402 -8.921 -10.721 365 HB2 LYS 56 1HB LYS 56 -2.625 -11.544 -9.842 366 HB3 LYS 56 2HB LYS 56 -3.457 -9.994 -9.856 367 HG2 LYS 56 1HG LYS 56 -2.778 -9.991 -12.381 368 HG3 LYS 56 2HG LYS 56 -2.645 -11.734 -12.133 369 HD2 LYS 56 1HD LYS 56 -4.845 -11.530 -12.794 370 HD3 LYS 56 2HD LYS 56 -5.001 -11.466 -11.037 371 HE2 LYS 56 1HE LYS 56 -6.320 -9.692 -11.722 372 HE3 LYS 56 2HE LYS 56 -4.785 -8.905 -11.358 373 HZ1 LYS 56 1HZ LYS 56 -5.906 -9.573 -14.015 374 HZ2 LYS 56 2HZ LYS 56 -4.275 -9.179 -13.799 375 HZ3 LYS 56 3HZ LYS 56 -5.476 -8.051 -13.415 376 H TRP 57 H TRP 57 -1.822 -7.757 -8.876 377 HA TRP 57 HA TRP 57 -0.982 -8.921 -6.315 378 HB2 TRP 57 1HB TRP 57 0.913 -7.620 -7.130 379 HB3 TRP 57 2HB TRP 57 -0.128 -6.222 -7.382 380 HD1 TRP 57 HD TRP 57 1.647 -8.176 -4.627 381 HE1 TRP 57 1HE TRP 57 1.614 -6.776 -2.466 382 HE3 TRP 57 3HE TRP 57 -1.477 -4.422 -6.139 383 HZ2 TRP 57 2HZ TRP 57 0.421 -4.397 -1.528 384 HZ3 TRP 57 3HZ TRP 57 -2.014 -2.622 -4.549 385 HH2 TRP 57 HH TRP 57 -1.084 -2.612 -2.291 386 H PHE 58 H PHE 58 -2.642 -8.809 -4.968 387 HA PHE 58 HA PHE 58 -4.581 -6.624 -5.278 388 HB2 PHE 58 1HB PHE 58 -4.819 -9.333 -3.961 389 HB3 PHE 58 2HB PHE 58 -6.065 -8.093 -3.872 390 HD1 PHE 58 2HD PHE 58 -6.946 -7.192 -6.135 391 HD2 PHE 58 1HD PHE 58 -4.842 -10.864 -5.686 392 HE1 PHE 58 2HE PHE 58 -7.889 -7.988 -8.263 393 HE2 PHE 58 1HE PHE 58 -5.781 -11.666 -7.815 394 HZ PHE 58 HZ PHE 58 -7.308 -10.228 -9.105 395 H CYS 59 H CYS 59 -4.410 -4.987 -3.912 396 HA CYS 59 HA CYS 59 -2.685 -4.653 -1.851 397 HB2 CYS 59 1HB CYS 59 -3.959 -2.797 -1.155 398 HB3 CYS 59 2HB CYS 59 -4.321 -2.963 -2.870 399 HA PRO 60 HA PRO 60 -3.864 -7.157 1.556 400 HB2 PRO 60 1HB PRO 60 -3.128 -5.582 3.641 401 HB3 PRO 60 2HB PRO 60 -1.961 -6.412 2.606 402 HG2 PRO 60 1HG PRO 60 -2.873 -3.562 2.526 403 HG3 PRO 60 2HG PRO 60 -1.234 -4.217 2.357 404 HD2 PRO 60 1HD PRO 60 -2.722 -3.451 0.229 405 HD3 PRO 60 2HD PRO 60 -1.552 -4.783 0.145 406 H ARG 61 H ARG 61 -5.577 -4.507 0.669 407 HA ARG 61 HA ARG 61 -7.355 -4.575 3.008 408 HB2 ARG 61 1HB ARG 61 -7.178 -2.584 0.739 409 HB3 ARG 61 2HB ARG 61 -8.333 -2.500 2.062 410 HG2 ARG 61 1HG ARG 61 -6.510 -2.249 3.656 411 HG3 ARG 61 2HG ARG 61 -5.338 -2.364 2.342 412 HD2 ARG 61 1HD ARG 61 -5.684 -0.044 2.939 413 HD3 ARG 61 2HD ARG 61 -6.316 -0.350 1.322 414 HE ARG 61 HE ARG 61 -7.866 0.229 3.725 415 HH11 ARG 61 2HH1 ARG 61 -7.805 -0.604 0.346 416 HH12 ARG 61 1HH1 ARG 61 -9.452 -0.143 0.068 417 HH21 ARG 61 2HH2 ARG 61 -10.036 0.839 3.373 418 HH22 ARG 61 1HH2 ARG 61 -10.720 0.678 1.791 419 H CYS 62 H CYS 62 -7.103 -5.453 -0.310 420 HA CYS 62 HA CYS 62 -9.985 -5.864 -0.568 421 HB2 CYS 62 1HB CYS 62 -7.705 -6.056 -2.538 422 HB3 CYS 62 2HB CYS 62 -9.350 -6.548 -2.929 423 H SER 63 H SER 63 -6.957 -7.710 -0.814 424 HA SER 63 HA SER 63 -8.181 -10.228 -1.178 425 HB2 SER 63 1HB SER 63 -5.753 -9.608 -1.638 426 HB3 SER 63 2HB SER 63 -5.481 -9.776 0.097 427 HG SER 63 HG SER 63 -6.246 -11.751 -1.770 428 H GLN 64 H GLN 64 -6.911 -8.611 1.718 429 HA GLN 64 HA GLN 64 -8.119 -10.700 3.382 430 HB2 GLN 64 1HB GLN 64 -6.208 -8.486 4.147 431 HB3 GLN 64 2HB GLN 64 -6.779 -9.765 5.211 432 HG2 GLN 64 1HG GLN 64 -5.640 -11.431 3.919 433 HG3 GLN 64 2HG GLN 64 -5.195 -10.239 2.699 434 HE21 GLN 64 1HE2 GLN 64 -3.025 -11.047 3.127 435 HE22 GLN 64 2HE2 GLN 64 -2.127 -10.376 4.441 436 H GLU 65 H GLU 65 -10.265 -9.815 2.837 437 HA GLU 65 HA GLU 65 -10.925 -7.529 4.575 438 HB2 GLU 65 1HB GLU 65 -11.095 -7.023 2.122 439 HB3 GLU 65 2HB GLU 65 -12.345 -8.253 2.009 440 HG2 GLU 65 1HG GLU 65 -13.155 -5.889 2.184 441 HG3 GLU 65 2HG GLU 65 -13.826 -7.015 3.362 442 H SER 66 H SER 66 -11.882 -8.367 6.314 443 HA SER 66 HA SER 66 -12.970 -10.744 6.827 444 HB2 SER 66 1HB SER 66 -12.889 -8.974 8.506 445 HB3 SER 66 2HB SER 66 -14.180 -8.102 7.680 446 HG SER 66 HG SER 66 -15.299 -10.307 8.032 447 H GLY 67 H GLY 67 -14.126 -11.919 5.410 448 HA2 GLY 67 1HA GLY 67 -16.776 -11.915 5.112 449 HA3 GLY 67 2HA GLY 67 -16.315 -10.702 3.927 450 HA PRO 68 HA PRO 68 -15.069 -15.241 2.628 451 HB2 PRO 68 1HB PRO 68 -17.260 -16.831 2.833 452 HB3 PRO 68 2HB PRO 68 -16.052 -16.690 4.116 453 HG2 PRO 68 1HG PRO 68 -18.716 -15.347 3.867 454 HG3 PRO 68 2HG PRO 68 -17.965 -16.087 5.293 455 HD2 PRO 68 1HD PRO 68 -17.970 -13.412 4.872 456 HD3 PRO 68 2HD PRO 68 -16.644 -14.244 5.709 457 H SER 69 H SER 69 -17.261 -12.930 1.898 458 HA SER 69 HA SER 69 -19.016 -13.605 0.027 459 HB2 SER 69 1HB SER 69 -18.412 -11.570 -1.262 460 HB3 SER 69 2HB SER 69 -18.470 -11.273 0.476 461 HG SER 69 HG SER 69 -16.452 -10.846 -1.176 462 H SER 70 H SER 70 -18.885 -15.307 -1.302 463 HA SER 70 HA SER 70 -16.525 -15.515 -3.055 464 HB2 SER 70 1HB SER 70 -17.011 -17.915 -3.228 465 HB3 SER 70 2HB SER 70 -16.794 -17.442 -1.543 466 HG SER 70 HG SER 70 -18.972 -17.571 -1.227 467 H GLY 71 H GLY 71 -17.282 -17.031 -5.058 468 HA2 GLY 71 1HA GLY 71 -18.540 -17.183 -6.981 469 HA3 GLY 71 2HA GLY 71 -19.889 -16.501 -6.085 Start of MODEL 6 1 H1 GLY 1 H GLY 1 17.239 41.229 10.928 2 HA2 GLY 1 1HA GLY 1 19.105 39.514 12.410 3 HA3 GLY 1 2HA GLY 1 17.380 39.270 12.642 4 H SER 2 H SER 2 17.367 37.194 11.807 5 HA SER 2 HA SER 2 17.735 37.045 8.891 6 HB2 SER 2 1HB SER 2 18.726 34.876 9.049 7 HB3 SER 2 2HB SER 2 19.588 35.904 10.193 8 HG SER 2 HG SER 2 17.785 34.991 11.675 9 H SER 3 H SER 3 16.482 35.323 7.857 10 HA SER 3 HA SER 3 13.920 34.935 9.244 11 HB2 SER 3 1HB SER 3 14.583 34.905 6.290 12 HB3 SER 3 2HB SER 3 12.986 34.574 6.959 13 HG SER 3 HG SER 3 14.317 36.951 7.642 14 H GLY 4 H GLY 4 16.031 33.232 6.921 15 HA2 GLY 4 1HA GLY 4 16.774 30.974 7.771 16 HA3 GLY 4 2HA GLY 4 15.068 30.694 8.086 17 H SER 5 H SER 5 15.484 28.790 6.705 18 HA SER 5 HA SER 5 14.893 29.460 3.921 19 HB2 SER 5 1HB SER 5 16.553 28.015 3.009 20 HB3 SER 5 2HB SER 5 17.384 29.011 4.204 21 HG SER 5 HG SER 5 17.919 26.785 4.386 22 H SER 6 H SER 6 13.659 27.931 2.834 23 HA SER 6 HA SER 6 11.881 26.412 4.367 24 HB2 SER 6 1HB SER 6 11.617 27.297 1.957 25 HB3 SER 6 2HB SER 6 12.453 25.823 1.468 26 HG SER 6 HG SER 6 10.743 24.785 2.879 27 H GLY 7 H GLY 7 11.743 24.270 4.893 28 HA2 GLY 7 1HA GLY 7 14.081 22.600 4.199 29 HA3 GLY 7 2HA GLY 7 13.389 22.618 5.814 30 H ASP 8 H ASP 8 10.679 22.559 5.205 31 HA ASP 8 HA ASP 8 10.153 20.357 3.418 32 HB2 ASP 8 1HB ASP 8 10.725 18.886 5.101 33 HB3 ASP 8 2HB ASP 8 10.251 19.999 6.381 34 H MET 9 H MET 9 8.013 20.214 2.835 35 HA MET 9 HA MET 9 6.288 22.346 3.884 36 HB2 MET 9 1HB MET 9 6.431 20.916 1.252 37 HB3 MET 9 2HB MET 9 4.945 21.719 1.740 38 HG2 MET 9 1HG MET 9 6.050 23.835 1.860 39 HG3 MET 9 2HG MET 9 7.620 23.081 1.596 40 HE1 MET 9 1HE MET 9 4.765 24.725 0.523 41 HE2 MET 9 2HE MET 9 5.590 25.445 -0.860 42 HE3 MET 9 3HE MET 9 4.324 24.243 -1.116 43 HA PRO 10 HA PRO 10 3.755 19.328 5.877 44 HB2 PRO 10 1HB PRO 10 1.564 20.882 6.271 45 HB3 PRO 10 2HB PRO 10 3.044 21.049 7.223 46 HG2 PRO 10 1HG PRO 10 2.105 22.664 4.885 47 HG3 PRO 10 2HG PRO 10 2.847 23.214 6.399 48 HD2 PRO 10 1HD PRO 10 4.244 22.984 4.091 49 HD3 PRO 10 2HD PRO 10 4.979 22.709 5.684 50 H VAL 11 H VAL 11 1.209 18.823 5.744 51 HA VAL 11 HA VAL 11 0.791 17.648 3.219 52 HB VAL 11 HB VAL 11 -1.464 17.100 4.025 53 HG11 VAL 11 1HG1 VAL 11 -0.242 16.431 6.492 54 HG12 VAL 11 2HG1 VAL 11 -0.460 15.416 5.066 55 HG13 VAL 11 3HG1 VAL 11 1.003 16.385 5.245 56 HG21 VAL 11 1HG2 VAL 11 -0.766 19.101 6.138 57 HG22 VAL 11 2HG2 VAL 11 -2.242 18.954 5.184 58 HG23 VAL 11 3HG2 VAL 11 -1.910 17.802 6.477 59 H ASP 12 H ASP 12 -1.194 18.002 1.879 60 HA ASP 12 HA ASP 12 -2.435 20.574 1.872 61 HB2 ASP 12 1HB ASP 12 -1.464 20.926 -0.590 62 HB3 ASP 12 2HB ASP 12 -0.665 21.583 0.836 63 HA PRO 13 HA PRO 13 -5.461 18.459 -0.495 64 HB2 PRO 13 1HB PRO 13 -6.428 20.416 -2.109 65 HB3 PRO 13 2HB PRO 13 -6.752 20.356 -0.373 66 HG2 PRO 13 1HG PRO 13 -4.733 21.984 -1.868 67 HG3 PRO 13 2HG PRO 13 -5.796 22.470 -0.534 68 HD2 PRO 13 1HD PRO 13 -3.185 21.852 -0.166 69 HD3 PRO 13 2HD PRO 13 -4.424 21.535 1.065 70 H ASN 14 H ASN 14 -3.219 20.428 -2.405 71 HA ASN 14 HA ASN 14 -3.688 19.569 -4.948 72 HB2 ASN 14 1HB ASN 14 -1.105 20.195 -3.535 73 HB3 ASN 14 2HB ASN 14 -1.127 19.748 -5.238 74 HD21 ASN 14 1HD2 ASN 14 -0.617 21.617 -6.193 75 HD22 ASN 14 2HD2 ASN 14 -1.515 23.084 -6.034 76 H GLU 15 H GLU 15 -1.609 17.930 -2.567 77 HA GLU 15 HA GLU 15 -1.596 15.552 -4.288 78 HB2 GLU 15 1HB GLU 15 0.218 16.578 -2.147 79 HB3 GLU 15 2HB GLU 15 0.148 14.845 -2.435 80 HG2 GLU 15 1HG GLU 15 0.669 15.296 -4.830 81 HG3 GLU 15 2HG GLU 15 0.918 16.987 -4.399 82 HA PRO 16 HA PRO 16 -4.737 14.222 -1.286 83 HB2 PRO 16 1HB PRO 16 -5.783 12.321 -2.918 84 HB3 PRO 16 2HB PRO 16 -6.218 14.030 -3.032 85 HG2 PRO 16 1HG PRO 16 -4.277 12.455 -4.679 86 HG3 PRO 16 2HG PRO 16 -5.473 13.656 -5.203 87 HD2 PRO 16 1HD PRO 16 -2.844 14.244 -4.922 88 HD3 PRO 16 2HD PRO 16 -4.127 15.435 -4.622 89 H THR 17 H THR 17 -4.686 12.550 0.136 90 HA THR 17 HA THR 17 -2.435 10.751 0.009 91 HB THR 17 HB THR 17 -3.383 9.905 2.213 92 HG1 THR 17 1HG THR 17 -5.554 10.789 1.668 93 HG21 THR 17 1HG2 THR 17 -1.650 11.354 2.580 94 HG22 THR 17 2HG2 THR 17 -2.964 12.290 3.294 95 HG23 THR 17 3HG2 THR 17 -2.403 12.659 1.664 96 H TYR 18 H TYR 18 -2.459 8.571 -0.301 97 HA TYR 18 HA TYR 18 -5.045 7.381 -1.063 98 HB2 TYR 18 1HB TYR 18 -2.309 6.642 -2.120 99 HB3 TYR 18 2HB TYR 18 -3.850 5.974 -2.647 100 HD1 TYR 18 2HD TYR 18 -5.571 8.191 -3.094 101 HD2 TYR 18 1HD TYR 18 -1.381 7.934 -3.786 102 HE1 TYR 18 2HE TYR 18 -5.752 9.949 -4.804 103 HE2 TYR 18 1HE TYR 18 -1.550 9.692 -5.498 104 HH TYR 18 HH TYR 18 -3.141 10.728 -6.923 105 H CYS 19 H CYS 19 -1.817 6.049 -0.384 106 HA CYS 19 HA CYS 19 -2.500 3.667 0.700 107 HB2 CYS 19 1HB CYS 19 -0.195 4.129 0.432 108 HB3 CYS 19 2HB CYS 19 -0.277 5.549 1.469 109 H LEU 20 H LEU 20 -2.518 2.906 2.969 110 HA LEU 20 HA LEU 20 -4.577 4.098 4.437 111 HB2 LEU 20 1HB LEU 20 -2.451 2.197 5.416 112 HB3 LEU 20 2HB LEU 20 -3.982 2.539 6.220 113 HG LEU 20 HG LEU 20 -4.945 1.682 3.891 114 HD11 LEU 20 1HD1 LEU 20 -3.347 -0.439 3.537 115 HD12 LEU 20 2HD1 LEU 20 -2.139 0.770 3.974 116 HD13 LEU 20 3HD1 LEU 20 -3.206 1.048 2.598 117 HD21 LEU 20 1HD2 LEU 20 -4.166 0.287 6.391 118 HD22 LEU 20 2HD2 LEU 20 -4.714 -0.699 5.036 119 HD23 LEU 20 3HD2 LEU 20 -5.763 0.558 5.694 120 H CYS 21 H CYS 21 -1.063 4.169 4.949 121 HA CYS 21 HA CYS 21 -0.960 5.576 7.321 122 HB2 CYS 21 1HB CYS 21 1.284 6.154 6.762 123 HB3 CYS 21 2HB CYS 21 0.979 4.576 6.043 124 H HIS 22 H HIS 22 -2.206 6.618 4.366 125 HA HIS 22 HA HIS 22 -3.092 8.594 3.665 126 HB2 HIS 22 1HB HIS 22 -2.645 9.300 6.566 127 HB3 HIS 22 2HB HIS 22 -3.416 10.395 5.422 128 HD1 HIS 22 1HD HIS 22 -5.458 8.867 4.027 129 HD2 HIS 22 2HD HIS 22 -4.555 8.065 8.002 130 HE1 HIS 22 1HE HIS 22 -7.482 7.696 4.953 131 HE2 HIS 22 2HE HIS 22 -6.946 7.297 7.381 132 H GLN 23 H GLN 23 -0.653 8.277 2.774 133 HA GLN 23 HA GLN 23 0.719 10.838 3.266 134 HB2 GLN 23 1HB GLN 23 1.812 8.111 2.621 135 HB3 GLN 23 2HB GLN 23 2.752 9.567 2.321 136 HG2 GLN 23 1HG GLN 23 1.567 9.199 5.016 137 HG3 GLN 23 2HG GLN 23 2.957 8.211 4.570 138 HE21 GLN 23 1HE2 GLN 23 1.823 11.558 4.661 139 HE22 GLN 23 2HE2 GLN 23 3.365 12.258 4.997 140 H VAL 24 H VAL 24 2.164 11.420 1.299 141 HA VAL 24 HA VAL 24 0.409 11.425 -1.034 142 HB VAL 24 HB VAL 24 1.711 13.250 -1.872 143 HG11 VAL 24 1HG1 VAL 24 1.826 14.534 0.576 144 HG12 VAL 24 2HG1 VAL 24 0.429 14.453 -0.499 145 HG13 VAL 24 3HG1 VAL 24 0.604 13.284 0.810 146 HG21 VAL 24 1HG2 VAL 24 3.660 14.074 -0.384 147 HG22 VAL 24 2HG2 VAL 24 3.670 12.423 0.237 148 HG23 VAL 24 3HG2 VAL 24 3.938 12.721 -1.481 149 H SER 25 H SER 25 1.334 11.147 -3.191 150 HA SER 25 HA SER 25 2.521 8.719 -3.609 151 HB2 SER 25 1HB SER 25 1.451 9.973 -5.408 152 HB3 SER 25 2HB SER 25 2.736 11.180 -5.361 153 HG SER 25 HG SER 25 2.940 8.458 -6.122 154 H TYR 26 H TYR 26 4.385 8.000 -2.824 155 HA TYR 26 HA TYR 26 6.830 9.455 -3.411 156 HB2 TYR 26 1HB TYR 26 7.606 9.683 -1.219 157 HB3 TYR 26 2HB TYR 26 5.911 10.140 -1.090 158 HD1 TYR 26 1HD TYR 26 8.067 7.098 -0.809 159 HD2 TYR 26 2HD TYR 26 4.672 9.222 0.628 160 HE1 TYR 26 1HE TYR 26 7.749 5.396 0.939 161 HE2 TYR 26 2HE TYR 26 4.345 7.527 2.380 162 HH TYR 26 HH TYR 26 6.361 4.627 2.529 163 H GLY 27 H GLY 27 8.750 8.153 -3.159 164 HA2 GLY 27 1HA GLY 27 9.918 6.208 -3.512 165 HA3 GLY 27 2HA GLY 27 8.850 5.517 -2.299 166 H GLU 28 H GLU 28 8.629 3.524 -3.259 167 HA GLU 28 HA GLU 28 7.650 3.399 -6.006 168 HB2 GLU 28 1HB GLU 28 8.601 1.295 -4.067 169 HB3 GLU 28 2HB GLU 28 7.866 0.894 -5.613 170 HG2 GLU 28 1HG GLU 28 10.325 2.596 -5.292 171 HG3 GLU 28 2HG GLU 28 10.340 0.867 -5.634 172 H MET 29 H MET 29 5.603 2.937 -6.551 173 HA MET 29 HA MET 29 3.785 1.902 -4.496 174 HB2 MET 29 1HB MET 29 3.273 4.324 -6.228 175 HB3 MET 29 2HB MET 29 2.047 3.525 -5.253 176 HG2 MET 29 1HG MET 29 3.501 3.981 -3.253 177 HG3 MET 29 2HG MET 29 4.487 4.995 -4.304 178 HE1 MET 29 1HE MET 29 0.790 4.208 -3.653 179 HE2 MET 29 2HE MET 29 1.184 4.921 -2.089 180 HE3 MET 29 3HE MET 29 0.092 5.761 -3.192 181 H ILE 30 H ILE 30 1.861 0.908 -5.341 182 HA ILE 30 HA ILE 30 2.072 0.155 -8.182 183 HB ILE 30 HB ILE 30 1.595 -2.083 -7.750 184 HG12 ILE 30 1HG1 ILE 30 -0.295 -1.796 -6.258 185 HG13 ILE 30 2HG1 ILE 30 0.847 -2.920 -5.531 186 HG21 ILE 30 1HG2 ILE 30 3.217 -2.806 -6.036 187 HG22 ILE 30 2HG2 ILE 30 3.862 -1.560 -7.103 188 HG23 ILE 30 3HG2 ILE 30 3.332 -1.138 -5.475 189 HD11 ILE 30 1HD1 ILE 30 1.745 -0.804 -4.323 190 HD12 ILE 30 2HD1 ILE 30 0.166 -0.133 -4.734 191 HD13 ILE 30 3HD1 ILE 30 0.275 -1.593 -3.750 192 H GLY 31 H GLY 31 -0.014 -0.760 -9.045 193 HA2 GLY 31 1HA GLY 31 -2.281 0.755 -7.905 194 HA3 GLY 31 2HA GLY 31 -2.054 0.479 -9.626 195 H CYS 32 H CYS 32 -3.504 -0.639 -6.785 196 HA CYS 32 HA CYS 32 -3.726 -3.337 -6.964 197 HB2 CYS 32 1HB CYS 32 -4.862 -1.821 -5.296 198 HB3 CYS 32 2HB CYS 32 -6.114 -1.544 -6.503 199 H ASP 33 H ASP 33 -5.031 -4.829 -8.042 200 HA ASP 33 HA ASP 33 -5.708 -4.078 -10.749 201 HB2 ASP 33 1HB ASP 33 -4.554 -6.218 -10.225 202 HB3 ASP 33 2HB ASP 33 -6.000 -6.758 -9.377 203 H ASN 34 H ASN 34 -7.390 -5.056 -7.815 204 HA ASN 34 HA ASN 34 -9.923 -5.551 -8.769 205 HB2 ASN 34 1HB ASN 34 -8.981 -5.601 -6.341 206 HB3 ASN 34 2HB ASN 34 -9.544 -3.933 -6.267 207 HD21 ASN 34 1HD2 ASN 34 -11.146 -4.255 -4.799 208 HD22 ASN 34 2HD2 ASN 34 -12.563 -5.192 -5.119 209 HA PRO 35 HA PRO 35 -10.990 -1.652 -10.632 210 HB2 PRO 35 1HB PRO 35 -13.516 -2.356 -11.333 211 HB3 PRO 35 2HB PRO 35 -12.087 -2.893 -12.224 212 HG2 PRO 35 1HG PRO 35 -13.696 -4.354 -10.165 213 HG3 PRO 35 2HG PRO 35 -13.034 -4.950 -11.698 214 HD2 PRO 35 1HD PRO 35 -11.848 -5.437 -9.313 215 HD3 PRO 35 2HD PRO 35 -10.925 -5.248 -10.818 216 H ASP 36 H ASP 36 -12.660 -3.233 -8.021 217 HA ASP 36 HA ASP 36 -14.466 -1.062 -7.489 218 HB2 ASP 36 1HB ASP 36 -14.622 -3.631 -6.862 219 HB3 ASP 36 2HB ASP 36 -13.787 -3.093 -5.408 220 H CYS 37 H CYS 37 -11.361 -2.163 -6.241 221 HA CYS 37 HA CYS 37 -10.997 -0.791 -3.953 222 HB2 CYS 37 1HB CYS 37 -9.308 -2.146 -5.418 223 HB3 CYS 37 2HB CYS 37 -8.860 -0.563 -6.045 224 H SER 38 H SER 38 -10.857 1.261 -3.257 225 HA SER 38 HA SER 38 -11.430 3.374 -5.175 226 HB2 SER 38 1HB SER 38 -12.596 3.047 -2.885 227 HB3 SER 38 2HB SER 38 -11.138 3.769 -2.205 228 HG SER 38 HG SER 38 -13.131 5.099 -3.017 229 H ILE 39 H ILE 39 -8.957 2.513 -2.796 230 HA ILE 39 HA ILE 39 -7.359 4.827 -3.209 231 HB ILE 39 HB ILE 39 -6.400 2.157 -2.186 232 HG12 ILE 39 1HG1 ILE 39 -7.479 4.408 -0.495 233 HG13 ILE 39 2HG1 ILE 39 -8.498 3.085 -1.052 234 HG21 ILE 39 1HG2 ILE 39 -4.868 3.665 -0.860 235 HG22 ILE 39 2HG2 ILE 39 -4.573 3.600 -2.597 236 HG23 ILE 39 3HG2 ILE 39 -5.413 4.983 -1.897 237 HD11 ILE 39 1HD1 ILE 39 -7.783 1.773 0.577 238 HD12 ILE 39 2HD1 ILE 39 -6.095 2.076 0.161 239 HD13 ILE 39 3HD1 ILE 39 -6.946 3.170 1.252 240 H GLU 40 H GLU 40 -6.676 1.433 -4.090 241 HA GLU 40 HA GLU 40 -5.465 0.519 -5.785 242 HB2 GLU 40 1HB GLU 40 -5.919 2.896 -7.524 243 HB3 GLU 40 2HB GLU 40 -6.029 1.185 -7.913 244 HG2 GLU 40 1HG GLU 40 -8.086 1.296 -6.272 245 HG3 GLU 40 2HG GLU 40 -8.058 2.998 -6.729 246 H TRP 41 H TRP 41 -4.074 2.157 -3.887 247 HA TRP 41 HA TRP 41 -1.594 2.436 -5.269 248 HB2 TRP 41 1HB TRP 41 -3.087 4.917 -4.434 249 HB3 TRP 41 2HB TRP 41 -1.333 4.897 -4.593 250 HD1 TRP 41 HD TRP 41 -4.453 5.311 -6.591 251 HE1 TRP 41 1HE TRP 41 -3.879 5.523 -9.091 252 HE3 TRP 41 3HE TRP 41 0.458 3.902 -6.417 253 HZ2 TRP 41 2HZ TRP 41 -1.640 5.142 -10.767 254 HZ3 TRP 41 3HZ TRP 41 1.745 3.851 -8.513 255 HH2 TRP 41 HH TRP 41 0.716 4.459 -10.642 256 H PHE 42 H PHE 42 -0.164 1.686 -3.863 257 HA PHE 42 HA PHE 42 -0.233 2.600 -1.096 258 HB2 PHE 42 1HB PHE 42 -0.129 -0.341 -1.795 259 HB3 PHE 42 2HB PHE 42 -0.080 0.354 -0.178 260 HD1 PHE 42 1HD PHE 42 -2.228 0.083 -3.194 261 HD2 PHE 42 2HD PHE 42 -2.043 0.691 1.014 262 HE1 PHE 42 1HE PHE 42 -4.682 -0.047 -3.071 263 HE2 PHE 42 2HE PHE 42 -4.496 0.561 1.145 264 HZ PHE 42 HZ PHE 42 -5.819 0.191 -0.899 265 H HIS 43 H HIS 43 1.757 2.686 -0.126 266 HA HIS 43 HA HIS 43 4.032 2.627 -1.856 267 HB2 HIS 43 1HB HIS 43 4.059 2.920 1.148 268 HB3 HIS 43 2HB HIS 43 5.270 3.486 0.002 269 HD2 HIS 43 2HD HIS 43 4.493 5.801 -1.485 270 HE1 HIS 43 1HE HIS 43 1.283 6.765 1.116 271 HE2 HIS 43 2HE HIS 43 2.696 7.538 -0.821 272 H PHE 44 H PHE 44 5.679 1.179 -1.977 273 HA PHE 44 HA PHE 44 5.269 -1.492 -1.473 274 HB2 PHE 44 1HB PHE 44 7.730 0.148 -1.926 275 HB3 PHE 44 2HB PHE 44 7.903 -1.547 -1.483 276 HD1 PHE 44 2HD PHE 44 5.469 0.206 -3.695 277 HD2 PHE 44 1HD PHE 44 8.544 -2.717 -3.356 278 HE1 PHE 44 2HE PHE 44 5.111 -0.437 -6.042 279 HE2 PHE 44 1HE PHE 44 8.192 -3.365 -5.703 280 HZ PHE 44 HZ PHE 44 6.473 -2.226 -7.049 281 H ALA 45 H ALA 45 7.590 0.491 0.373 282 HA ALA 45 HA ALA 45 8.198 -1.193 2.402 283 HB1 ALA 45 1HB ALA 45 7.582 1.679 3.010 284 HB2 ALA 45 2HB ALA 45 8.851 0.652 3.678 285 HB3 ALA 45 3HB ALA 45 8.962 1.220 2.012 286 H CYS 46 H CYS 46 5.319 0.881 2.258 287 HA CYS 46 HA CYS 46 4.262 0.258 4.765 288 HB2 CYS 46 1HB CYS 46 3.162 1.307 2.208 289 HB3 CYS 46 2HB CYS 46 2.009 0.702 3.392 290 H VAL 47 H VAL 47 3.571 -1.231 1.605 291 HA VAL 47 HA VAL 47 2.093 -3.377 2.905 292 HB VAL 47 HB VAL 47 1.715 -4.185 0.562 293 HG11 VAL 47 1HG1 VAL 47 0.848 -1.348 0.590 294 HG12 VAL 47 2HG1 VAL 47 -0.086 -2.817 0.301 295 HG13 VAL 47 3HG1 VAL 47 0.363 -2.365 1.946 296 HG21 VAL 47 1HG2 VAL 47 2.688 -1.555 -0.441 297 HG22 VAL 47 2HG2 VAL 47 3.859 -2.848 -0.179 298 HG23 VAL 47 3HG2 VAL 47 2.510 -3.091 -1.290 299 H GLY 48 H GLY 48 5.035 -3.052 3.228 300 HA2 GLY 48 1HA GLY 48 6.984 -4.286 3.056 301 HA3 GLY 48 2HA GLY 48 5.890 -5.607 3.436 302 H LEU 49 H LEU 49 6.954 -3.656 0.652 303 HA LEU 49 HA LEU 49 6.773 -6.092 -0.994 304 HB2 LEU 49 1HB LEU 49 6.181 -3.244 -1.520 305 HB3 LEU 49 2HB LEU 49 6.945 -4.143 -2.830 306 HG LEU 49 HG LEU 49 4.308 -4.779 -1.508 307 HD11 LEU 49 1HD1 LEU 49 3.552 -3.280 -2.973 308 HD12 LEU 49 2HD1 LEU 49 3.926 -4.475 -4.213 309 HD13 LEU 49 3HD1 LEU 49 5.093 -3.210 -3.828 310 HD21 LEU 49 1HD2 LEU 49 4.487 -6.849 -2.279 311 HD22 LEU 49 2HD2 LEU 49 6.126 -6.502 -2.831 312 HD23 LEU 49 3HD2 LEU 49 4.756 -6.233 -3.910 313 H THR 50 H THR 50 8.827 -6.884 -0.585 314 HA THR 50 HA THR 50 11.201 -5.406 -0.583 315 HB THR 50 HB THR 50 10.907 -8.295 -1.424 316 HG1 THR 50 1HG THR 50 9.951 -7.921 0.625 317 HG21 THR 50 1HG2 THR 50 13.246 -7.591 0.126 318 HG22 THR 50 2HG2 THR 50 13.149 -6.641 -1.357 319 HG23 THR 50 3HG2 THR 50 13.137 -8.402 -1.435 320 H THR 51 H THR 51 9.417 -6.914 -3.216 321 HA THR 51 HA THR 51 11.042 -5.398 -5.120 322 HB THR 51 HB THR 51 11.050 -7.403 -6.663 323 HG1 THR 51 1HG THR 51 10.828 -9.441 -5.602 324 HG21 THR 51 1HG2 THR 51 12.962 -6.561 -5.111 325 HG22 THR 51 2HG2 THR 51 13.108 -8.140 -5.883 326 HG23 THR 51 3HG2 THR 51 12.621 -8.026 -4.192 327 H LYS 52 H LYS 52 10.036 -5.231 -7.256 328 HA LYS 52 HA LYS 52 7.290 -4.595 -7.072 329 HB2 LYS 52 1HB LYS 52 9.198 -3.769 -8.710 330 HB3 LYS 52 2HB LYS 52 8.576 -5.061 -9.727 331 HG2 LYS 52 1HG LYS 52 6.269 -3.943 -9.247 332 HG3 LYS 52 2HG LYS 52 7.258 -2.535 -8.854 333 HD2 LYS 52 1HD LYS 52 6.865 -2.209 -11.103 334 HD3 LYS 52 2HD LYS 52 8.410 -3.062 -11.137 335 HE2 LYS 52 1HE LYS 52 5.948 -4.711 -11.194 336 HE3 LYS 52 2HE LYS 52 6.324 -3.779 -12.643 337 HZ1 LYS 52 1HZ LYS 52 7.360 -6.215 -11.976 338 HZ2 LYS 52 2HZ LYS 52 8.614 -5.141 -11.612 339 HZ3 LYS 52 3HZ LYS 52 7.954 -5.173 -13.169 340 HA PRO 53 HA PRO 53 5.614 -8.657 -7.718 341 HB2 PRO 53 1HB PRO 53 3.018 -7.886 -7.902 342 HB3 PRO 53 2HB PRO 53 3.884 -7.984 -6.365 343 HG2 PRO 53 1HG PRO 53 3.311 -5.589 -8.067 344 HG3 PRO 53 2HG PRO 53 3.203 -5.761 -6.305 345 HD2 PRO 53 1HD PRO 53 5.309 -4.575 -7.526 346 HD3 PRO 53 2HD PRO 53 5.473 -5.489 -6.013 347 H ARG 54 H ARG 54 6.280 -9.311 -9.731 348 HA ARG 54 HA ARG 54 5.423 -8.039 -12.142 349 HB2 ARG 54 1HB ARG 54 7.034 -10.440 -11.437 350 HB3 ARG 54 2HB ARG 54 6.331 -10.379 -13.048 351 HG2 ARG 54 1HG ARG 54 8.325 -9.390 -13.481 352 HG3 ARG 54 2HG ARG 54 7.400 -7.959 -13.025 353 HD2 ARG 54 1HD ARG 54 8.346 -7.914 -10.865 354 HD3 ARG 54 2HD ARG 54 8.987 -9.548 -11.029 355 HE ARG 54 HE ARG 54 10.180 -7.109 -11.986 356 HH11 ARG 54 2HH1 ARG 54 10.027 -10.569 -12.338 357 HH12 ARG 54 1HH1 ARG 54 11.599 -10.696 -13.055 358 HH21 ARG 54 2HH2 ARG 54 12.251 -7.263 -12.929 359 HH22 ARG 54 1HH2 ARG 54 12.864 -8.815 -13.390 360 H GLY 55 H GLY 55 3.105 -8.076 -11.754 361 HA2 GLY 55 1HA GLY 55 1.526 -9.515 -13.256 362 HA3 GLY 55 2HA GLY 55 1.842 -10.712 -12.009 363 H LYS 56 H LYS 56 -0.549 -10.593 -11.834 364 HA LYS 56 HA LYS 56 -1.915 -8.329 -10.926 365 HB2 LYS 56 1HB LYS 56 -2.433 -11.278 -10.597 366 HB3 LYS 56 2HB LYS 56 -3.525 -10.066 -9.939 367 HG2 LYS 56 1HG LYS 56 -3.607 -9.119 -12.314 368 HG3 LYS 56 2HG LYS 56 -2.884 -10.652 -12.807 369 HD2 LYS 56 1HD LYS 56 -5.369 -10.533 -11.121 370 HD3 LYS 56 2HD LYS 56 -5.434 -10.470 -12.884 371 HE2 LYS 56 1HE LYS 56 -5.635 -12.721 -12.586 372 HE3 LYS 56 2HE LYS 56 -3.878 -12.598 -12.650 373 HZ1 LYS 56 1HZ LYS 56 -4.327 -13.911 -10.792 374 HZ2 LYS 56 2HZ LYS 56 -5.605 -12.932 -10.275 375 HZ3 LYS 56 3HZ LYS 56 -4.011 -12.383 -10.139 376 H TRP 57 H TRP 57 -2.221 -7.415 -8.965 377 HA TRP 57 HA TRP 57 -1.203 -8.778 -6.584 378 HB2 TRP 57 1HB TRP 57 0.664 -7.408 -7.297 379 HB3 TRP 57 2HB TRP 57 -0.382 -5.999 -7.453 380 HD1 TRP 57 HD TRP 57 1.375 -8.149 -4.822 381 HE1 TRP 57 1HE TRP 57 1.383 -6.871 -2.587 382 HE3 TRP 57 3HE TRP 57 -1.651 -4.236 -6.114 383 HZ2 TRP 57 2HZ TRP 57 0.254 -4.517 -1.514 384 HZ3 TRP 57 3HZ TRP 57 -2.137 -2.514 -4.425 385 HH2 TRP 57 HH TRP 57 -1.204 -2.654 -2.173 386 H PHE 58 H PHE 58 -2.839 -8.829 -5.203 387 HA PHE 58 HA PHE 58 -4.837 -6.690 -5.259 388 HB2 PHE 58 1HB PHE 58 -4.899 -9.389 -3.893 389 HB3 PHE 58 2HB PHE 58 -6.223 -8.229 -3.919 390 HD1 PHE 58 2HD PHE 58 -7.108 -7.539 -6.241 391 HD2 PHE 58 1HD PHE 58 -4.739 -11.005 -5.537 392 HE1 PHE 58 2HE PHE 58 -7.927 -8.522 -8.343 393 HE2 PHE 58 1HE PHE 58 -5.554 -11.993 -7.638 394 HZ PHE 58 HZ PHE 58 -7.150 -10.751 -9.044 395 H CYS 59 H CYS 59 -4.415 -5.040 -3.949 396 HA CYS 59 HA CYS 59 -2.641 -4.785 -1.933 397 HB2 CYS 59 1HB CYS 59 -3.870 -2.911 -1.138 398 HB3 CYS 59 2HB CYS 59 -4.188 -3.004 -2.868 399 HA PRO 60 HA PRO 60 -3.795 -7.255 1.506 400 HB2 PRO 60 1HB PRO 60 -2.963 -5.705 3.574 401 HB3 PRO 60 2HB PRO 60 -1.846 -6.562 2.506 402 HG2 PRO 60 1HG PRO 60 -2.686 -3.690 2.455 403 HG3 PRO 60 2HG PRO 60 -1.069 -4.386 2.242 404 HD2 PRO 60 1HD PRO 60 -2.593 -3.576 0.156 405 HD3 PRO 60 2HD PRO 60 -1.460 -4.938 0.039 406 H ARG 61 H ARG 61 -5.535 -4.684 0.603 407 HA ARG 61 HA ARG 61 -7.235 -4.682 3.007 408 HB2 ARG 61 1HB ARG 61 -6.827 -2.647 0.826 409 HB3 ARG 61 2HB ARG 61 -8.232 -2.597 1.883 410 HG2 ARG 61 1HG ARG 61 -6.621 -2.556 3.823 411 HG3 ARG 61 2HG ARG 61 -5.342 -2.293 2.637 412 HD2 ARG 61 1HD ARG 61 -6.063 -0.170 3.532 413 HD3 ARG 61 2HD ARG 61 -6.536 -0.288 1.838 414 HE ARG 61 HE ARG 61 -8.726 -1.163 3.187 415 HH11 ARG 61 2HH1 ARG 61 -6.768 1.712 3.341 416 HH12 ARG 61 1HH1 ARG 61 -8.073 2.731 3.850 417 HH21 ARG 61 2HH2 ARG 61 -10.453 0.169 3.857 418 HH22 ARG 61 1HH2 ARG 61 -10.169 1.852 4.144 419 H CYS 62 H CYS 62 -7.083 -5.442 -0.362 420 HA CYS 62 HA CYS 62 -9.971 -5.795 -0.568 421 HB2 CYS 62 1HB CYS 62 -7.725 -6.053 -2.570 422 HB3 CYS 62 2HB CYS 62 -9.393 -6.474 -2.943 423 H SER 63 H SER 63 -6.999 -7.720 -0.723 424 HA SER 63 HA SER 63 -8.339 -10.203 -1.115 425 HB2 SER 63 1HB SER 63 -6.013 -9.920 -1.798 426 HB3 SER 63 2HB SER 63 -5.537 -9.616 -0.128 427 HG SER 63 HG SER 63 -6.729 -11.858 0.049 428 H GLN 64 H GLN 64 -7.061 -8.508 1.709 429 HA GLN 64 HA GLN 64 -7.768 -10.645 3.510 430 HB2 GLN 64 1HB GLN 64 -5.832 -8.980 3.782 431 HB3 GLN 64 2HB GLN 64 -7.056 -7.833 4.312 432 HG2 GLN 64 1HG GLN 64 -7.719 -9.719 5.973 433 HG3 GLN 64 2HG GLN 64 -6.099 -10.327 5.636 434 HE21 GLN 64 1HE2 GLN 64 -5.035 -9.889 7.461 435 HE22 GLN 64 2HE2 GLN 64 -4.875 -8.320 8.165 436 H GLU 65 H GLU 65 -9.987 -9.866 2.044 437 HA GLU 65 HA GLU 65 -11.646 -8.582 4.114 438 HB2 GLU 65 1HB GLU 65 -11.205 -7.348 1.839 439 HB3 GLU 65 2HB GLU 65 -12.403 -8.475 1.220 440 HG2 GLU 65 1HG GLU 65 -13.317 -6.269 1.899 441 HG3 GLU 65 2HG GLU 65 -14.067 -7.647 2.702 442 H SER 66 H SER 66 -13.496 -9.595 4.692 443 HA SER 66 HA SER 66 -14.998 -11.283 4.956 444 HB2 SER 66 1HB SER 66 -14.700 -11.132 1.977 445 HB3 SER 66 2HB SER 66 -15.671 -12.421 2.688 446 HG SER 66 HG SER 66 -16.944 -10.595 2.225 447 H GLY 67 H GLY 67 -12.356 -11.952 5.506 448 HA2 GLY 67 1HA GLY 67 -12.492 -14.828 5.172 449 HA3 GLY 67 2HA GLY 67 -11.111 -14.063 4.400 450 HA PRO 68 HA PRO 68 -9.518 -15.100 8.516 451 HB2 PRO 68 1HB PRO 68 -6.921 -15.138 7.729 452 HB3 PRO 68 2HB PRO 68 -8.014 -16.508 7.499 453 HG2 PRO 68 1HG PRO 68 -7.172 -14.405 5.541 454 HG3 PRO 68 2HG PRO 68 -7.338 -16.154 5.302 455 HD2 PRO 68 1HD PRO 68 -9.224 -14.389 4.491 456 HD3 PRO 68 2HD PRO 68 -9.624 -16.029 5.038 457 H SER 69 H SER 69 -9.711 -13.318 9.763 458 HA SER 69 HA SER 69 -7.611 -11.333 9.636 459 HB2 SER 69 1HB SER 69 -10.495 -10.659 9.087 460 HB3 SER 69 2HB SER 69 -9.385 -9.463 9.755 461 HG SER 69 HG SER 69 -9.609 -9.580 7.373 462 H SER 70 H SER 70 -7.904 -9.703 11.472 463 HA SER 70 HA SER 70 -8.704 -11.207 13.851 464 HB2 SER 70 1HB SER 70 -6.407 -10.300 13.771 465 HB3 SER 70 2HB SER 70 -7.064 -8.670 13.625 466 HG SER 70 HG SER 70 -8.242 -9.676 15.707 467 H GLY 71 H GLY 71 -8.843 -7.797 12.791 468 HA2 GLY 71 1HA GLY 71 -11.583 -7.448 13.048 469 HA3 GLY 71 2HA GLY 71 -10.896 -7.112 14.630 Start of MODEL 7 1 H1 GLY 1 H GLY 1 15.421 17.386 21.109 2 HA2 GLY 1 1HA GLY 1 16.182 15.330 19.432 3 HA3 GLY 1 2HA GLY 1 15.266 14.564 20.722 4 H SER 2 H SER 2 14.482 14.529 18.028 5 HA SER 2 HA SER 2 12.726 16.466 17.168 6 HB2 SER 2 1HB SER 2 11.791 14.840 15.722 7 HB3 SER 2 2HB SER 2 13.457 14.321 15.973 8 HG SER 2 HG SER 2 12.164 12.543 16.254 9 H SER 3 H SER 3 10.352 16.462 17.138 10 HA SER 3 HA SER 3 9.001 15.128 19.327 11 HB2 SER 3 1HB SER 3 9.964 17.164 20.379 12 HB3 SER 3 2HB SER 3 9.085 18.153 19.212 13 HG SER 3 HG SER 3 7.831 16.310 20.963 14 H GLY 4 H GLY 4 7.324 14.288 18.271 15 HA2 GLY 4 1HA GLY 4 5.297 15.921 17.161 16 HA3 GLY 4 2HA GLY 4 6.245 15.199 15.870 17 H SER 5 H SER 5 3.510 14.834 17.604 18 HA SER 5 HA SER 5 3.032 12.202 16.666 19 HB2 SER 5 1HB SER 5 2.991 10.946 18.681 20 HB3 SER 5 2HB SER 5 4.530 11.808 18.697 21 HG SER 5 HG SER 5 3.012 13.456 19.874 22 H SER 6 H SER 6 0.932 12.127 16.245 23 HA SER 6 HA SER 6 -0.976 13.338 18.091 24 HB2 SER 6 1HB SER 6 -0.257 14.959 16.174 25 HB3 SER 6 2HB SER 6 -1.279 13.938 15.164 26 HG SER 6 HG SER 6 -2.413 14.724 17.552 27 H GLY 7 H GLY 7 -3.256 12.775 17.484 28 HA2 GLY 7 1HA GLY 7 -3.477 9.982 17.093 29 HA3 GLY 7 2HA GLY 7 -4.814 11.121 17.151 30 H ASP 8 H ASP 8 -6.003 11.201 15.377 31 HA ASP 8 HA ASP 8 -4.959 10.093 12.900 32 HB2 ASP 8 1HB ASP 8 -7.731 11.113 13.558 33 HB3 ASP 8 2HB ASP 8 -7.272 10.236 12.101 34 H MET 9 H MET 9 -3.733 11.466 11.760 35 HA MET 9 HA MET 9 -4.054 14.283 11.773 36 HB2 MET 9 1HB MET 9 -1.925 13.051 11.263 37 HB3 MET 9 2HB MET 9 -2.613 12.619 9.704 38 HG2 MET 9 1HG MET 9 -1.425 14.454 9.100 39 HG3 MET 9 2HG MET 9 -2.956 15.221 9.516 40 HE1 MET 9 1HE MET 9 1.074 16.132 11.167 41 HE2 MET 9 2HE MET 9 0.732 14.408 11.025 42 HE3 MET 9 3HE MET 9 0.563 15.460 9.619 43 HA PRO 10 HA PRO 10 -7.389 14.644 8.887 44 HB2 PRO 10 1HB PRO 10 -7.173 17.314 8.447 45 HB3 PRO 10 2HB PRO 10 -7.858 16.637 9.929 46 HG2 PRO 10 1HG PRO 10 -5.104 17.699 9.427 47 HG3 PRO 10 2HG PRO 10 -6.162 17.950 10.828 48 HD2 PRO 10 1HD PRO 10 -4.124 16.167 10.842 49 HD3 PRO 10 2HD PRO 10 -5.622 15.911 11.759 50 H VAL 11 H VAL 11 -7.749 15.064 6.668 51 HA VAL 11 HA VAL 11 -5.357 14.817 5.040 52 HB VAL 11 HB VAL 11 -6.914 14.422 3.171 53 HG11 VAL 11 1HG1 VAL 11 -8.102 12.384 4.348 54 HG12 VAL 11 2HG1 VAL 11 -6.353 12.412 4.112 55 HG13 VAL 11 3HG1 VAL 11 -7.039 12.830 5.683 56 HG21 VAL 11 1HG2 VAL 11 -9.272 14.228 4.917 57 HG22 VAL 11 2HG2 VAL 11 -8.714 15.868 4.588 58 HG23 VAL 11 3HG2 VAL 11 -9.134 14.796 3.253 59 H ASP 12 H ASP 12 -5.562 15.998 2.807 60 HA ASP 12 HA ASP 12 -6.696 18.644 2.928 61 HB2 ASP 12 1HB ASP 12 -3.733 18.616 2.523 62 HB3 ASP 12 2HB ASP 12 -4.774 19.926 3.072 63 HA PRO 13 HA PRO 13 -6.794 18.037 -1.422 64 HB2 PRO 13 1HB PRO 13 -6.965 20.614 -2.257 65 HB3 PRO 13 2HB PRO 13 -8.310 19.762 -1.489 66 HG2 PRO 13 1HG PRO 13 -6.362 21.695 -0.293 67 HG3 PRO 13 2HG PRO 13 -8.116 21.585 -0.059 68 HD2 PRO 13 1HD PRO 13 -6.343 20.607 1.738 69 HD3 PRO 13 2HD PRO 13 -7.932 19.866 1.464 70 H ASN 14 H ASN 14 -4.522 20.464 -0.190 71 HA ASN 14 HA ASN 14 -2.952 20.769 -2.475 72 HB2 ASN 14 1HB ASN 14 -1.203 21.588 -0.968 73 HB3 ASN 14 2HB ASN 14 -2.775 22.232 -0.504 74 HD21 ASN 14 1HD2 ASN 14 -0.006 20.839 0.612 75 HD22 ASN 14 2HD2 ASN 14 -0.574 20.262 2.138 76 H GLU 15 H GLU 15 -2.595 18.496 0.234 77 HA GLU 15 HA GLU 15 -0.772 16.914 -1.458 78 HB2 GLU 15 1HB GLU 15 -0.650 17.632 1.428 79 HB3 GLU 15 2HB GLU 15 -0.094 16.030 0.964 80 HG2 GLU 15 1HG GLU 15 1.454 17.070 -0.650 81 HG3 GLU 15 2HG GLU 15 0.940 18.656 -0.079 82 HA PRO 16 HA PRO 16 -4.388 14.209 -0.928 83 HB2 PRO 16 1HB PRO 16 -3.867 12.737 -3.149 84 HB3 PRO 16 2HB PRO 16 -4.700 14.295 -3.203 85 HG2 PRO 16 1HG PRO 16 -1.826 13.664 -3.753 86 HG3 PRO 16 2HG PRO 16 -2.927 14.734 -4.641 87 HD2 PRO 16 1HD PRO 16 -1.093 15.667 -2.881 88 HD3 PRO 16 2HD PRO 16 -2.659 16.463 -3.141 89 H THR 17 H THR 17 -4.546 12.138 -0.139 90 HA THR 17 HA THR 17 -2.029 10.629 0.134 91 HB THR 17 HB THR 17 -3.000 9.775 2.323 92 HG1 THR 17 1HG THR 17 -4.718 12.005 1.871 93 HG21 THR 17 1HG2 THR 17 -1.271 11.168 2.798 94 HG22 THR 17 2HG2 THR 17 -2.570 12.204 3.389 95 HG23 THR 17 3HG2 THR 17 -1.896 12.465 1.780 96 H TYR 18 H TYR 18 -2.111 8.439 -0.161 97 HA TYR 18 HA TYR 18 -4.722 7.326 -0.956 98 HB2 TYR 18 1HB TYR 18 -2.001 6.565 -2.036 99 HB3 TYR 18 2HB TYR 18 -3.547 5.901 -2.553 100 HD1 TYR 18 1HD TYR 18 -1.763 9.170 -2.274 101 HD2 TYR 18 2HD TYR 18 -4.595 6.816 -4.404 102 HE1 TYR 18 1HE TYR 18 -1.948 10.940 -3.971 103 HE2 TYR 18 2HE TYR 18 -4.787 8.579 -6.109 104 HH TYR 18 HH TYR 18 -4.318 10.760 -6.562 105 H CYS 19 H CYS 19 -1.490 6.038 -0.173 106 HA CYS 19 HA CYS 19 -2.173 3.603 0.814 107 HB2 CYS 19 1HB CYS 19 0.132 4.119 0.656 108 HB3 CYS 19 2HB CYS 19 -0.026 5.513 1.720 109 H LEU 20 H LEU 20 -2.274 2.793 3.063 110 HA LEU 20 HA LEU 20 -4.418 3.920 4.463 111 HB2 LEU 20 1HB LEU 20 -2.312 2.037 5.516 112 HB3 LEU 20 2HB LEU 20 -3.903 2.319 6.221 113 HG LEU 20 HG LEU 20 -4.723 1.487 3.855 114 HD11 LEU 20 1HD1 LEU 20 -2.924 1.018 2.574 115 HD12 LEU 20 2HD1 LEU 20 -2.994 -0.519 3.437 116 HD13 LEU 20 3HD1 LEU 20 -1.870 0.735 3.960 117 HD21 LEU 20 1HD2 LEU 20 -4.927 0.482 6.242 118 HD22 LEU 20 2HD2 LEU 20 -3.666 -0.622 5.692 119 HD23 LEU 20 3HD2 LEU 20 -5.208 -0.548 4.838 120 H CYS 21 H CYS 21 -0.933 4.010 5.151 121 HA CYS 21 HA CYS 21 -0.972 5.379 7.550 122 HB2 CYS 21 1HB CYS 21 1.298 5.941 7.149 123 HB3 CYS 21 2HB CYS 21 1.036 4.399 6.340 124 H HIS 22 H HIS 22 -2.033 6.464 4.534 125 HA HIS 22 HA HIS 22 -2.863 8.451 3.799 126 HB2 HIS 22 1HB HIS 22 -2.786 8.885 6.760 127 HB3 HIS 22 2HB HIS 22 -3.155 10.243 5.701 128 HD1 HIS 22 1HD HIS 22 -5.151 9.456 3.823 129 HD2 HIS 22 2HD HIS 22 -5.043 7.666 7.571 130 HE1 HIS 22 1HE HIS 22 -7.452 8.505 4.180 131 HE2 HIS 22 2HE HIS 22 -7.387 7.501 6.490 132 H GLN 23 H GLN 23 -0.356 8.173 3.106 133 HA GLN 23 HA GLN 23 1.004 10.678 3.842 134 HB2 GLN 23 1HB GLN 23 2.028 7.983 3.031 135 HB3 GLN 23 2HB GLN 23 3.009 9.411 2.732 136 HG2 GLN 23 1HG GLN 23 1.890 9.019 5.454 137 HG3 GLN 23 2HG GLN 23 3.240 8.006 4.945 138 HE21 GLN 23 1HE2 GLN 23 5.042 9.308 3.853 139 HE22 GLN 23 2HE2 GLN 23 5.510 10.762 4.661 140 H VAL 24 H VAL 24 2.459 11.507 2.015 141 HA VAL 24 HA VAL 24 0.775 11.933 -0.290 142 HB VAL 24 HB VAL 24 2.378 13.580 -0.986 143 HG11 VAL 24 1HG1 VAL 24 2.590 14.169 1.868 144 HG12 VAL 24 2HG1 VAL 24 1.779 15.063 0.581 145 HG13 VAL 24 3HG1 VAL 24 0.968 13.702 1.357 146 HG21 VAL 24 1HG2 VAL 24 4.445 13.905 0.521 147 HG22 VAL 24 2HG2 VAL 24 4.167 12.233 1.006 148 HG23 VAL 24 3HG2 VAL 24 4.478 12.620 -0.687 149 H SER 25 H SER 25 1.643 11.786 -2.504 150 HA SER 25 HA SER 25 2.455 9.208 -3.150 151 HB2 SER 25 1HB SER 25 1.336 10.693 -4.751 152 HB3 SER 25 2HB SER 25 2.762 11.729 -4.800 153 HG SER 25 HG SER 25 2.982 10.397 -6.516 154 H TYR 26 H TYR 26 4.292 8.381 -2.334 155 HA TYR 26 HA TYR 26 6.805 9.569 -3.214 156 HB2 TYR 26 1HB TYR 26 7.780 9.771 -1.115 157 HB3 TYR 26 2HB TYR 26 6.134 10.313 -0.806 158 HD1 TYR 26 1HD TYR 26 8.369 7.354 -0.549 159 HD2 TYR 26 2HD TYR 26 4.817 9.256 0.820 160 HE1 TYR 26 1HE TYR 26 8.151 5.660 1.220 161 HE2 TYR 26 2HE TYR 26 4.590 7.567 2.594 162 HH TYR 26 HH TYR 26 6.144 4.695 2.606 163 H GLY 27 H GLY 27 8.671 8.066 -2.781 164 HA2 GLY 27 1HA GLY 27 9.615 6.022 -3.254 165 HA3 GLY 27 2HA GLY 27 8.499 5.428 -2.034 166 H GLU 28 H GLU 28 8.976 3.579 -3.733 167 HA GLU 28 HA GLU 28 7.594 3.622 -6.193 168 HB2 GLU 28 1HB GLU 28 8.683 1.443 -4.444 169 HB3 GLU 28 2HB GLU 28 7.701 1.039 -5.845 170 HG2 GLU 28 1HG GLU 28 9.287 1.714 -7.332 171 HG3 GLU 28 2HG GLU 28 9.971 2.909 -6.231 172 H MET 29 H MET 29 5.564 2.972 -6.775 173 HA MET 29 HA MET 29 3.753 2.046 -4.661 174 HB2 MET 29 1HB MET 29 3.084 4.266 -6.601 175 HB3 MET 29 2HB MET 29 2.021 3.609 -5.363 176 HG2 MET 29 1HG MET 29 3.753 4.357 -3.677 177 HG3 MET 29 2HG MET 29 4.504 5.252 -4.996 178 HE1 MET 29 1HE MET 29 1.103 4.342 -3.697 179 HE2 MET 29 2HE MET 29 1.341 5.472 -2.364 180 HE3 MET 29 3HE MET 29 0.182 5.845 -3.640 181 H ILE 30 H ILE 30 1.822 1.004 -5.458 182 HA ILE 30 HA ILE 30 2.074 0.046 -8.233 183 HB ILE 30 HB ILE 30 1.570 -2.152 -7.645 184 HG12 ILE 30 1HG1 ILE 30 -0.332 -1.655 -6.170 185 HG13 ILE 30 2HG1 ILE 30 0.741 -2.846 -5.442 186 HG21 ILE 30 1HG2 ILE 30 3.829 -1.672 -7.035 187 HG22 ILE 30 2HG2 ILE 30 3.324 -1.002 -5.484 188 HG23 ILE 30 3HG2 ILE 30 3.149 -2.728 -5.797 189 HD11 ILE 30 1HD1 ILE 30 1.791 -0.865 -4.214 190 HD12 ILE 30 2HD1 ILE 30 0.349 0.026 -4.705 191 HD13 ILE 30 3HD1 ILE 30 0.196 -1.414 -3.697 192 H GLY 31 H GLY 31 -0.008 -0.938 -9.049 193 HA2 GLY 31 1HA GLY 31 -2.288 0.657 -8.053 194 HA3 GLY 31 2HA GLY 31 -2.029 0.286 -9.752 195 H CYS 32 H CYS 32 -3.508 -0.688 -6.865 196 HA CYS 32 HA CYS 32 -3.730 -3.405 -6.967 197 HB2 CYS 32 1HB CYS 32 -4.807 -1.787 -5.316 198 HB3 CYS 32 2HB CYS 32 -6.122 -1.633 -6.476 199 H ASP 33 H ASP 33 -5.393 -4.831 -7.804 200 HA ASP 33 HA ASP 33 -6.132 -4.090 -10.540 201 HB2 ASP 33 1HB ASP 33 -4.815 -6.205 -10.027 202 HB3 ASP 33 2HB ASP 33 -6.291 -6.838 -9.303 203 H ASN 34 H ASN 34 -7.507 -5.162 -7.492 204 HA ASN 34 HA ASN 34 -10.060 -5.858 -8.181 205 HB2 ASN 34 1HB ASN 34 -8.909 -5.651 -5.844 206 HB3 ASN 34 2HB ASN 34 -9.631 -4.045 -5.829 207 HD21 ASN 34 1HD2 ASN 34 -11.279 -4.156 -4.476 208 HD22 ASN 34 2HD2 ASN 34 -12.533 -5.344 -4.510 209 HA PRO 35 HA PRO 35 -11.609 -2.201 -10.178 210 HB2 PRO 35 1HB PRO 35 -14.140 -3.114 -10.538 211 HB3 PRO 35 2HB PRO 35 -12.779 -3.634 -11.540 212 HG2 PRO 35 1HG PRO 35 -14.053 -5.017 -9.211 213 HG3 PRO 35 2HG PRO 35 -13.518 -5.696 -10.759 214 HD2 PRO 35 1HD PRO 35 -12.054 -5.909 -8.491 215 HD3 PRO 35 2HD PRO 35 -11.312 -5.789 -10.099 216 H ASP 36 H ASP 36 -12.767 -3.612 -7.242 217 HA ASP 36 HA ASP 36 -14.683 -1.521 -6.690 218 HB2 ASP 36 1HB ASP 36 -13.596 -3.688 -4.879 219 HB3 ASP 36 2HB ASP 36 -14.978 -2.652 -4.535 220 H CYS 37 H CYS 37 -11.408 -2.380 -5.712 221 HA CYS 37 HA CYS 37 -10.878 -0.831 -3.578 222 HB2 CYS 37 1HB CYS 37 -9.295 -2.190 -5.200 223 HB3 CYS 37 2HB CYS 37 -8.968 -0.592 -5.865 224 H SER 38 H SER 38 -10.761 1.273 -3.040 225 HA SER 38 HA SER 38 -11.625 3.214 -5.040 226 HB2 SER 38 1HB SER 38 -11.320 3.444 -2.037 227 HB3 SER 38 2HB SER 38 -11.913 4.731 -3.086 228 HG SER 38 HG SER 38 -13.768 3.724 -3.294 229 H ILE 39 H ILE 39 -8.944 2.616 -2.816 230 HA ILE 39 HA ILE 39 -7.517 4.992 -3.462 231 HB ILE 39 HB ILE 39 -6.387 2.428 -2.337 232 HG12 ILE 39 1HG1 ILE 39 -7.387 4.815 -0.781 233 HG13 ILE 39 2HG1 ILE 39 -8.376 3.391 -1.086 234 HG21 ILE 39 1HG2 ILE 39 -4.735 3.999 -1.312 235 HG22 ILE 39 2HG2 ILE 39 -4.649 3.890 -3.070 236 HG23 ILE 39 3HG2 ILE 39 -5.422 5.281 -2.310 237 HD11 ILE 39 1HD1 ILE 39 -5.719 2.896 0.081 238 HD12 ILE 39 2HD1 ILE 39 -6.891 3.719 1.110 239 HD13 ILE 39 3HD1 ILE 39 -7.275 2.141 0.424 240 H GLU 40 H GLU 40 -6.667 1.599 -4.182 241 HA GLU 40 HA GLU 40 -5.677 0.634 -5.991 242 HB2 GLU 40 1HB GLU 40 -6.163 3.164 -7.547 243 HB3 GLU 40 2HB GLU 40 -6.047 1.517 -8.151 244 HG2 GLU 40 1HG GLU 40 -8.221 2.116 -6.233 245 HG3 GLU 40 2HG GLU 40 -8.362 2.774 -7.862 246 H TRP 41 H TRP 41 -4.220 2.334 -4.082 247 HA TRP 41 HA TRP 41 -1.701 2.345 -5.425 248 HB2 TRP 41 1HB TRP 41 -3.008 4.981 -4.753 249 HB3 TRP 41 2HB TRP 41 -1.267 4.809 -4.958 250 HD1 TRP 41 HD TRP 41 -4.478 5.120 -6.910 251 HE1 TRP 41 1HE TRP 41 -3.945 5.205 -9.427 252 HE3 TRP 41 3HE TRP 41 0.474 3.860 -6.734 253 HZ2 TRP 41 2HZ TRP 41 -1.720 4.792 -11.114 254 HZ3 TRP 41 3HZ TRP 41 1.732 3.727 -8.844 255 HH2 TRP 41 HH TRP 41 0.657 4.183 -10.987 256 H PHE 42 H PHE 42 -0.131 1.958 -3.986 257 HA PHE 42 HA PHE 42 -0.429 2.840 -1.224 258 HB2 PHE 42 1HB PHE 42 -0.006 -0.061 -1.972 259 HB3 PHE 42 2HB PHE 42 0.055 0.590 -0.337 260 HD1 PHE 42 1HD PHE 42 -2.221 0.366 -3.276 261 HD2 PHE 42 2HD PHE 42 -1.849 0.554 0.960 262 HE1 PHE 42 1HE PHE 42 -4.645 0.009 -3.050 263 HE2 PHE 42 2HE PHE 42 -4.272 0.196 1.192 264 HZ PHE 42 HZ PHE 42 -5.674 -0.078 -0.814 265 H HIS 43 H HIS 43 1.632 1.870 0.026 266 HA HIS 43 HA HIS 43 3.945 2.562 -1.660 267 HB2 HIS 43 1HB HIS 43 3.705 2.773 1.348 268 HB3 HIS 43 2HB HIS 43 5.055 3.330 0.363 269 HD2 HIS 43 2HD HIS 43 3.936 5.341 -1.675 270 HE1 HIS 43 1HE HIS 43 1.422 6.899 1.367 271 HE2 HIS 43 2HE HIS 43 2.374 7.266 -0.936 272 H PHE 44 H PHE 44 5.366 1.013 -2.081 273 HA PHE 44 HA PHE 44 5.192 -1.612 -1.578 274 HB2 PHE 44 1HB PHE 44 7.570 0.161 -1.935 275 HB3 PHE 44 2HB PHE 44 7.837 -1.528 -1.517 276 HD1 PHE 44 2HD PHE 44 5.399 0.174 -3.770 277 HD2 PHE 44 1HD PHE 44 8.526 -2.686 -3.372 278 HE1 PHE 44 2HE PHE 44 5.124 -0.450 -6.134 279 HE2 PHE 44 1HE PHE 44 8.258 -3.314 -5.736 280 HZ PHE 44 HZ PHE 44 6.554 -2.196 -7.119 281 H ALA 45 H ALA 45 7.504 0.286 0.355 282 HA ALA 45 HA ALA 45 8.067 -1.456 2.336 283 HB1 ALA 45 1HB ALA 45 7.908 1.479 2.204 284 HB2 ALA 45 2HB ALA 45 7.903 0.788 3.827 285 HB3 ALA 45 3HB ALA 45 9.231 0.433 2.721 286 H CYS 46 H CYS 46 5.360 0.863 2.532 287 HA CYS 46 HA CYS 46 4.250 0.053 4.909 288 HB2 CYS 46 1HB CYS 46 3.081 1.212 2.407 289 HB3 CYS 46 2HB CYS 46 2.006 0.707 3.707 290 H VAL 47 H VAL 47 3.432 -1.193 1.673 291 HA VAL 47 HA VAL 47 1.827 -3.317 2.804 292 HB VAL 47 HB VAL 47 1.447 -4.016 0.492 293 HG11 VAL 47 1HG1 VAL 47 0.545 -1.743 -0.352 294 HG12 VAL 47 2HG1 VAL 47 -0.102 -2.417 1.145 295 HG13 VAL 47 3HG1 VAL 47 1.103 -1.129 1.204 296 HG21 VAL 47 1HG2 VAL 47 2.412 -2.770 -1.373 297 HG22 VAL 47 2HG2 VAL 47 3.357 -1.798 -0.245 298 HG23 VAL 47 3HG2 VAL 47 3.673 -3.526 -0.398 299 H GLY 48 H GLY 48 4.766 -3.158 3.335 300 HA2 GLY 48 1HA GLY 48 6.648 -4.505 3.274 301 HA3 GLY 48 2HA GLY 48 5.455 -5.760 3.575 302 H LEU 49 H LEU 49 6.537 -3.808 0.790 303 HA LEU 49 HA LEU 49 6.558 -6.290 -0.796 304 HB2 LEU 49 1HB LEU 49 5.657 -3.547 -1.371 305 HB3 LEU 49 2HB LEU 49 6.567 -4.330 -2.661 306 HG LEU 49 HG LEU 49 3.996 -5.304 -1.418 307 HD11 LEU 49 1HD1 LEU 49 3.400 -5.065 -3.967 308 HD12 LEU 49 2HD1 LEU 49 4.710 -3.885 -3.934 309 HD13 LEU 49 3HD1 LEU 49 3.313 -3.681 -2.877 310 HD21 LEU 49 1HD2 LEU 49 4.735 -6.686 -3.803 311 HD22 LEU 49 2HD2 LEU 49 4.436 -7.335 -2.190 312 HD23 LEU 49 3HD2 LEU 49 6.055 -6.798 -2.639 313 H THR 50 H THR 50 8.713 -6.746 -0.100 314 HA THR 50 HA THR 50 10.925 -5.135 -0.193 315 HB THR 50 HB THR 50 11.000 -7.450 0.616 316 HG1 THR 50 1HG THR 50 13.045 -7.981 -0.439 317 HG21 THR 50 1HG2 THR 50 9.637 -8.267 -1.441 318 HG22 THR 50 2HG2 THR 50 10.860 -9.329 -0.743 319 HG23 THR 50 3HG2 THR 50 11.216 -8.418 -2.210 320 H THR 51 H THR 51 9.387 -6.829 -2.887 321 HA THR 51 HA THR 51 10.818 -5.069 -4.737 322 HB THR 51 HB THR 51 11.190 -6.988 -6.299 323 HG1 THR 51 1HG THR 51 10.408 -8.868 -5.751 324 HG21 THR 51 1HG2 THR 51 12.640 -6.344 -3.889 325 HG22 THR 51 2HG2 THR 51 13.256 -6.759 -5.489 326 HG23 THR 51 3HG2 THR 51 12.880 -8.034 -4.331 327 H LYS 52 H LYS 52 9.884 -5.256 -6.992 328 HA LYS 52 HA LYS 52 7.135 -4.730 -6.930 329 HB2 LYS 52 1HB LYS 52 8.886 -4.038 -8.681 330 HB3 LYS 52 2HB LYS 52 8.603 -5.615 -9.405 331 HG2 LYS 52 1HG LYS 52 6.274 -5.078 -9.757 332 HG3 LYS 52 2HG LYS 52 6.482 -3.530 -8.934 333 HD2 LYS 52 1HD LYS 52 8.241 -3.008 -10.698 334 HD3 LYS 52 2HD LYS 52 7.624 -4.410 -11.575 335 HE2 LYS 52 1HE LYS 52 6.437 -2.637 -12.498 336 HE3 LYS 52 2HE LYS 52 5.320 -3.293 -11.303 337 HZ1 LYS 52 1HZ LYS 52 5.574 -0.807 -11.334 338 HZ2 LYS 52 2HZ LYS 52 7.132 -1.026 -10.713 339 HZ3 LYS 52 3HZ LYS 52 5.787 -1.542 -9.825 340 HA PRO 53 HA PRO 53 5.493 -8.847 -6.839 341 HB2 PRO 53 1HB PRO 53 2.902 -8.167 -7.278 342 HB3 PRO 53 2HB PRO 53 3.705 -7.935 -5.721 343 HG2 PRO 53 1HG PRO 53 3.188 -5.949 -7.900 344 HG3 PRO 53 2HG PRO 53 3.008 -5.757 -6.147 345 HD2 PRO 53 1HD PRO 53 5.155 -4.817 -7.503 346 HD3 PRO 53 2HD PRO 53 5.263 -5.398 -5.829 347 H ARG 54 H ARG 54 5.883 -10.154 -8.516 348 HA ARG 54 HA ARG 54 5.570 -9.399 -11.230 349 HB2 ARG 54 1HB ARG 54 5.972 -12.100 -9.937 350 HB3 ARG 54 2HB ARG 54 5.978 -11.839 -11.676 351 HG2 ARG 54 1HG ARG 54 7.907 -10.401 -11.496 352 HG3 ARG 54 2HG ARG 54 7.869 -10.527 -9.736 353 HD2 ARG 54 1HD ARG 54 9.560 -12.008 -10.596 354 HD3 ARG 54 2HD ARG 54 8.230 -12.965 -9.945 355 HE ARG 54 HE ARG 54 7.762 -13.724 -12.069 356 HH11 ARG 54 2HH1 ARG 54 10.073 -11.124 -12.216 357 HH12 ARG 54 1HH1 ARG 54 10.450 -11.380 -13.887 358 HH21 ARG 54 2HH2 ARG 54 8.250 -14.070 -14.271 359 HH22 ARG 54 1HH2 ARG 54 9.412 -13.055 -15.055 360 H GLY 55 H GLY 55 4.047 -10.028 -12.760 361 HA2 GLY 55 1HA GLY 55 2.007 -10.720 -13.575 362 HA3 GLY 55 2HA GLY 55 1.837 -11.723 -12.142 363 H LYS 56 H LYS 56 0.217 -11.214 -10.841 364 HA LYS 56 HA LYS 56 -0.888 -8.491 -10.990 365 HB2 LYS 56 1HB LYS 56 -2.169 -11.129 -10.276 366 HB3 LYS 56 2HB LYS 56 -2.958 -9.579 -10.011 367 HG2 LYS 56 1HG LYS 56 -2.628 -9.144 -12.484 368 HG3 LYS 56 2HG LYS 56 -2.188 -10.848 -12.621 369 HD2 LYS 56 1HD LYS 56 -4.763 -9.939 -11.359 370 HD3 LYS 56 2HD LYS 56 -4.614 -10.253 -13.089 371 HE2 LYS 56 1HE LYS 56 -3.616 -12.531 -12.295 372 HE3 LYS 56 2HE LYS 56 -4.452 -12.155 -10.790 373 HZ1 LYS 56 1HZ LYS 56 -6.520 -11.987 -12.002 374 HZ2 LYS 56 2HZ LYS 56 -5.812 -13.497 -12.284 375 HZ3 LYS 56 3HZ LYS 56 -5.730 -12.290 -13.467 376 H TRP 57 H TRP 57 -1.912 -7.699 -8.951 377 HA TRP 57 HA TRP 57 -0.848 -8.782 -6.481 378 HB2 TRP 57 1HB TRP 57 1.011 -7.399 -7.120 379 HB3 TRP 57 2HB TRP 57 -0.056 -6.055 -7.515 380 HD1 TRP 57 HD TRP 57 1.634 -7.772 -4.571 381 HE1 TRP 57 1HE TRP 57 1.353 -6.306 -2.474 382 HE3 TRP 57 3HE TRP 57 -1.660 -4.328 -6.424 383 HZ2 TRP 57 2HZ TRP 57 -0.077 -3.996 -1.707 384 HZ3 TRP 57 3HZ TRP 57 -2.436 -2.523 -4.943 385 HH2 TRP 57 HH TRP 57 -1.660 -2.363 -2.633 386 H PHE 58 H PHE 58 -2.218 -8.461 -4.831 387 HA PHE 58 HA PHE 58 -4.372 -6.486 -5.211 388 HB2 PHE 58 1HB PHE 58 -4.504 -9.176 -3.832 389 HB3 PHE 58 2HB PHE 58 -5.816 -8.003 -3.880 390 HD1 PHE 58 2HD PHE 58 -6.666 -7.302 -6.203 391 HD2 PHE 58 1HD PHE 58 -4.301 -10.769 -5.498 392 HE1 PHE 58 2HE PHE 58 -7.447 -8.262 -8.329 393 HE2 PHE 58 1HE PHE 58 -5.077 -11.735 -7.624 394 HZ PHE 58 HZ PHE 58 -6.653 -10.482 -9.042 395 H CYS 59 H CYS 59 -4.299 -4.868 -3.813 396 HA CYS 59 HA CYS 59 -2.539 -4.501 -1.764 397 HB2 CYS 59 1HB CYS 59 -3.848 -2.673 -1.061 398 HB3 CYS 59 2HB CYS 59 -4.207 -2.839 -2.777 399 HA PRO 60 HA PRO 60 -3.671 -7.023 1.644 400 HB2 PRO 60 1HB PRO 60 -3.021 -5.419 3.736 401 HB3 PRO 60 2HB PRO 60 -1.811 -6.207 2.717 402 HG2 PRO 60 1HG PRO 60 -2.828 -3.393 2.619 403 HG3 PRO 60 2HG PRO 60 -1.163 -3.986 2.473 404 HD2 PRO 60 1HD PRO 60 -2.652 -3.279 0.325 405 HD3 PRO 60 2HD PRO 60 -1.431 -4.567 0.259 406 H ARG 61 H ARG 61 -5.464 -4.429 0.737 407 HA ARG 61 HA ARG 61 -7.273 -4.571 3.048 408 HB2 ARG 61 1HB ARG 61 -6.753 -2.507 0.951 409 HB3 ARG 61 2HB ARG 61 -8.347 -2.576 1.691 410 HG2 ARG 61 1HG ARG 61 -7.155 -2.456 3.926 411 HG3 ARG 61 2HG ARG 61 -5.708 -2.033 3.009 412 HD2 ARG 61 1HD ARG 61 -8.225 -0.492 3.416 413 HD3 ARG 61 2HD ARG 61 -6.549 0.050 3.496 414 HE ARG 61 HE ARG 61 -6.542 0.323 1.184 415 HH11 ARG 61 2HH1 ARG 61 -9.552 -1.033 2.291 416 HH12 ARG 61 1HH1 ARG 61 -10.385 -0.733 0.802 417 HH21 ARG 61 2HH2 ARG 61 -7.628 0.723 -0.781 418 HH22 ARG 61 1HH2 ARG 61 -9.289 0.264 -0.946 419 H CYS 62 H CYS 62 -6.932 -5.452 -0.254 420 HA CYS 62 HA CYS 62 -9.800 -5.997 -0.522 421 HB2 CYS 62 1HB CYS 62 -7.557 -6.013 -2.549 422 HB3 CYS 62 2HB CYS 62 -9.214 -6.482 -2.914 423 H SER 63 H SER 63 -6.651 -7.576 -0.537 424 HA SER 63 HA SER 63 -7.824 -10.192 -0.967 425 HB2 SER 63 1HB SER 63 -5.459 -9.263 -1.726 426 HB3 SER 63 2HB SER 63 -4.975 -9.846 -0.133 427 HG SER 63 HG SER 63 -4.718 -11.484 -1.660 428 H GLN 64 H GLN 64 -8.412 -8.533 1.465 429 HA GLN 64 HA GLN 64 -7.324 -9.155 3.807 430 HB2 GLN 64 1HB GLN 64 -9.569 -9.265 4.817 431 HB3 GLN 64 2HB GLN 64 -9.430 -7.952 3.655 432 HG2 GLN 64 1HG GLN 64 -10.500 -9.472 1.967 433 HG3 GLN 64 2HG GLN 64 -10.825 -10.588 3.293 434 HE21 GLN 64 1HE2 GLN 64 -12.303 -9.997 4.896 435 HE22 GLN 64 2HE2 GLN 64 -13.459 -8.737 4.648 436 H GLU 65 H GLU 65 -9.229 -11.435 1.885 437 HA GLU 65 HA GLU 65 -8.790 -13.564 3.808 438 HB2 GLU 65 1HB GLU 65 -10.945 -13.303 2.555 439 HB3 GLU 65 2HB GLU 65 -10.082 -13.720 1.081 440 HG2 GLU 65 1HG GLU 65 -11.143 -15.689 1.796 441 HG3 GLU 65 2HG GLU 65 -9.439 -15.880 2.206 442 H SER 66 H SER 66 -6.483 -13.638 3.689 443 HA SER 66 HA SER 66 -5.514 -15.574 1.854 444 HB2 SER 66 1HB SER 66 -5.545 -13.282 0.571 445 HB3 SER 66 2HB SER 66 -4.093 -12.956 1.518 446 HG SER 66 HG SER 66 -4.438 -14.601 -0.627 447 H GLY 67 H GLY 67 -4.045 -16.706 2.937 448 HA2 GLY 67 1HA GLY 67 -1.823 -15.669 4.271 449 HA3 GLY 67 2HA GLY 67 -3.085 -15.907 5.471 450 HA PRO 68 HA PRO 68 -0.695 -19.902 4.364 451 HB2 PRO 68 1HB PRO 68 1.069 -19.951 6.427 452 HB3 PRO 68 2HB PRO 68 1.437 -19.208 4.865 453 HG2 PRO 68 1HG PRO 68 0.557 -17.914 7.417 454 HG3 PRO 68 2HG PRO 68 1.809 -17.396 6.274 455 HD2 PRO 68 1HD PRO 68 -0.667 -16.300 6.319 456 HD3 PRO 68 2HD PRO 68 0.277 -16.465 4.825 457 H SER 69 H SER 69 -1.678 -18.474 7.443 458 HA SER 69 HA SER 69 -2.001 -20.834 8.912 459 HB2 SER 69 1HB SER 69 -3.318 -18.128 9.108 460 HB3 SER 69 2HB SER 69 -3.690 -19.431 10.235 461 HG SER 69 HG SER 69 -1.334 -17.962 9.916 462 H SER 70 H SER 70 -3.328 -22.485 8.614 463 HA SER 70 HA SER 70 -5.666 -22.154 6.894 464 HB2 SER 70 1HB SER 70 -4.237 -24.003 6.305 465 HB3 SER 70 2HB SER 70 -4.269 -24.618 7.957 466 HG SER 70 HG SER 70 -6.552 -24.931 7.661 467 H GLY 71 H GLY 71 -4.912 -23.781 9.984 468 HA2 GLY 71 1HA GLY 71 -7.473 -22.845 11.045 469 HA3 GLY 71 2HA GLY 71 -7.213 -24.582 10.982 Start of MODEL 8 1 H1 GLY 1 H GLY 1 3.281 8.957 -18.060 2 HA2 GLY 1 1HA GLY 1 4.671 11.476 -17.388 3 HA3 GLY 1 2HA GLY 1 2.922 11.334 -17.305 4 H SER 2 H SER 2 1.996 10.565 -15.486 5 HA SER 2 HA SER 2 1.816 10.029 -13.279 6 HB2 SER 2 1HB SER 2 4.045 8.118 -14.023 7 HB3 SER 2 2HB SER 2 3.071 8.018 -12.557 8 HG SER 2 HG SER 2 1.515 8.197 -14.765 9 H SER 3 H SER 3 3.340 12.304 -13.746 10 HA SER 3 HA SER 3 5.548 12.091 -11.815 11 HB2 SER 3 1HB SER 3 4.963 14.098 -13.994 12 HB3 SER 3 2HB SER 3 6.187 14.373 -12.754 13 HG SER 3 HG SER 3 6.268 12.768 -14.962 14 H GLY 4 H GLY 4 5.876 14.335 -10.649 15 HA2 GLY 4 1HA GLY 4 3.253 15.048 -9.491 16 HA3 GLY 4 2HA GLY 4 4.753 15.003 -8.577 17 H SER 5 H SER 5 2.778 17.178 -9.024 18 HA SER 5 HA SER 5 4.041 19.120 -10.706 19 HB2 SER 5 1HB SER 5 2.385 20.687 -9.760 20 HB3 SER 5 2HB SER 5 1.626 19.190 -10.303 21 HG SER 5 HG SER 5 1.759 18.494 -8.070 22 H SER 6 H SER 6 6.197 19.090 -9.868 23 HA SER 6 HA SER 6 7.882 19.569 -8.355 24 HB2 SER 6 1HB SER 6 6.269 22.129 -8.465 25 HB3 SER 6 2HB SER 6 7.926 22.014 -7.871 26 HG SER 6 HG SER 6 8.444 21.142 -9.996 27 H GLY 7 H GLY 7 5.974 18.117 -6.994 28 HA2 GLY 7 1HA GLY 7 5.120 19.469 -4.613 29 HA3 GLY 7 2HA GLY 7 5.045 17.740 -4.913 30 H ASP 8 H ASP 8 7.478 20.279 -4.334 31 HA ASP 8 HA ASP 8 9.084 18.318 -2.860 32 HB2 ASP 8 1HB ASP 8 10.905 19.972 -3.030 33 HB3 ASP 8 2HB ASP 8 10.260 19.547 -4.613 34 H MET 9 H MET 9 7.125 18.678 -1.286 35 HA MET 9 HA MET 9 8.138 20.386 0.833 36 HB2 MET 9 1HB MET 9 5.595 20.879 -0.624 37 HB3 MET 9 2HB MET 9 5.565 21.064 1.125 38 HG2 MET 9 1HG MET 9 7.154 22.787 1.081 39 HG3 MET 9 2HG MET 9 7.623 22.422 -0.578 40 HE1 MET 9 1HE MET 9 7.560 24.095 -1.776 41 HE2 MET 9 2HE MET 9 6.096 24.228 -2.750 42 HE3 MET 9 3HE MET 9 6.544 25.531 -1.648 43 HA PRO 10 HA PRO 10 6.728 17.186 3.481 44 HB2 PRO 10 1HB PRO 10 5.879 18.548 5.670 45 HB3 PRO 10 2HB PRO 10 7.587 18.384 5.243 46 HG2 PRO 10 1HG PRO 10 5.725 20.678 4.760 47 HG3 PRO 10 2HG PRO 10 7.408 20.701 5.318 48 HD2 PRO 10 1HD PRO 10 6.716 21.219 2.751 49 HD3 PRO 10 2HD PRO 10 8.249 20.437 3.188 50 H VAL 11 H VAL 11 4.834 16.432 4.830 51 HA VAL 11 HA VAL 11 2.579 16.005 3.484 52 HB VAL 11 HB VAL 11 1.338 15.749 5.569 53 HG11 VAL 11 1HG1 VAL 11 3.502 14.330 4.823 54 HG12 VAL 11 2HG1 VAL 11 3.999 14.830 6.441 55 HG13 VAL 11 3HG1 VAL 11 2.500 13.927 6.217 56 HG21 VAL 11 1HG2 VAL 11 2.254 17.886 6.572 57 HG22 VAL 11 2HG2 VAL 11 2.111 16.513 7.670 58 HG23 VAL 11 3HG2 VAL 11 3.686 16.956 7.012 59 H ASP 12 H ASP 12 0.570 16.939 3.133 60 HA ASP 12 HA ASP 12 -0.267 19.406 4.212 61 HB2 ASP 12 1HB ASP 12 1.319 19.490 1.698 62 HB3 ASP 12 2HB ASP 12 -0.116 20.509 1.778 63 HA PRO 13 HA PRO 13 -4.071 17.955 2.570 64 HB2 PRO 13 1HB PRO 13 -5.481 20.271 2.444 65 HB3 PRO 13 2HB PRO 13 -5.100 19.460 3.968 66 HG2 PRO 13 1HG PRO 13 -3.741 21.792 2.671 67 HG3 PRO 13 2HG PRO 13 -4.166 21.550 4.376 68 HD2 PRO 13 1HD PRO 13 -1.660 21.155 3.429 69 HD3 PRO 13 2HD PRO 13 -2.332 20.211 4.774 70 H ASN 14 H ASN 14 -1.919 19.685 0.778 71 HA ASN 14 HA ASN 14 -3.590 20.353 -1.466 72 HB2 ASN 14 1HB ASN 14 -0.588 20.124 -1.537 73 HB3 ASN 14 2HB ASN 14 -1.630 21.164 -2.503 74 HD21 ASN 14 1HD2 ASN 14 0.662 21.868 -0.876 75 HD22 ASN 14 2HD2 ASN 14 0.098 23.009 0.292 76 H GLU 15 H GLU 15 -0.835 18.106 -1.133 77 HA GLU 15 HA GLU 15 -1.510 16.679 -3.503 78 HB2 GLU 15 1HB GLU 15 0.460 16.285 -1.283 79 HB3 GLU 15 2HB GLU 15 0.163 14.976 -2.418 80 HG2 GLU 15 1HG GLU 15 0.693 16.584 -4.265 81 HG3 GLU 15 2HG GLU 15 1.209 17.726 -3.025 82 HA PRO 16 HA PRO 16 -4.599 13.968 -1.905 83 HB2 PRO 16 1HB PRO 16 -4.486 12.067 -3.839 84 HB3 PRO 16 2HB PRO 16 -5.227 13.653 -4.092 85 HG2 PRO 16 1HG PRO 16 -2.502 12.688 -4.871 86 HG3 PRO 16 2HG PRO 16 -3.653 13.662 -5.804 87 HD2 PRO 16 1HD PRO 16 -1.536 14.749 -4.513 88 HD3 PRO 16 2HD PRO 16 -3.073 15.613 -4.722 89 H THR 17 H THR 17 -4.691 12.232 -0.573 90 HA THR 17 HA THR 17 -2.223 10.659 -0.259 91 HB THR 17 HB THR 17 -3.264 10.103 2.032 92 HG1 THR 17 1HG THR 17 -4.537 12.452 2.243 93 HG21 THR 17 1HG2 THR 17 -1.397 11.419 2.228 94 HG22 THR 17 2HG2 THR 17 -2.617 12.543 2.827 95 HG23 THR 17 3HG2 THR 17 -2.036 12.674 1.167 96 H TYR 18 H TYR 18 -2.262 8.553 -0.701 97 HA TYR 18 HA TYR 18 -4.878 7.270 -1.107 98 HB2 TYR 18 1HB TYR 18 -2.188 6.471 -2.236 99 HB3 TYR 18 2HB TYR 18 -3.735 5.716 -2.606 100 HD1 TYR 18 1HD TYR 18 -1.789 8.850 -2.956 101 HD2 TYR 18 2HD TYR 18 -5.151 6.601 -4.278 102 HE1 TYR 18 1HE TYR 18 -2.108 10.430 -4.813 103 HE2 TYR 18 2HE TYR 18 -5.478 8.175 -6.140 104 HH TYR 18 HH TYR 18 -4.933 10.392 -6.793 105 H CYS 19 H CYS 19 -1.594 6.078 -0.408 106 HA CYS 19 HA CYS 19 -2.150 3.762 0.855 107 HB2 CYS 19 1HB CYS 19 0.130 4.378 0.537 108 HB3 CYS 19 2HB CYS 19 -0.045 5.808 1.549 109 H LEU 20 H LEU 20 -2.203 3.141 3.144 110 HA LEU 20 HA LEU 20 -4.299 4.385 4.524 111 HB2 LEU 20 1HB LEU 20 -2.188 2.585 5.698 112 HB3 LEU 20 2HB LEU 20 -3.802 2.882 6.339 113 HG LEU 20 HG LEU 20 -4.541 1.879 4.013 114 HD11 LEU 20 1HD1 LEU 20 -1.713 1.469 4.005 115 HD12 LEU 20 2HD1 LEU 20 -2.903 1.050 2.773 116 HD13 LEU 20 3HD1 LEU 20 -2.532 -0.092 4.065 117 HD21 LEU 20 1HD2 LEU 20 -3.516 0.165 6.275 118 HD22 LEU 20 2HD2 LEU 20 -4.726 -0.293 5.076 119 HD23 LEU 20 3HD2 LEU 20 -5.077 0.985 6.240 120 H CYS 21 H CYS 21 -0.791 4.538 5.012 121 HA CYS 21 HA CYS 21 -0.703 6.027 7.341 122 HB2 CYS 21 1HB CYS 21 1.526 6.695 6.689 123 HB3 CYS 21 2HB CYS 21 1.267 5.025 6.196 124 H HIS 22 H HIS 22 -1.957 6.939 4.342 125 HA HIS 22 HA HIS 22 -2.849 8.876 3.549 126 HB2 HIS 22 1HB HIS 22 -2.501 9.687 6.438 127 HB3 HIS 22 2HB HIS 22 -3.289 10.706 5.237 128 HD1 HIS 22 1HD HIS 22 -5.450 9.510 4.047 129 HD2 HIS 22 2HD HIS 22 -4.179 7.964 7.688 130 HE1 HIS 22 1HE HIS 22 -7.392 8.175 4.925 131 HE2 HIS 22 2HE HIS 22 -6.630 7.320 7.168 132 H GLN 23 H GLN 23 -0.371 8.593 2.749 133 HA GLN 23 HA GLN 23 0.979 11.156 3.279 134 HB2 GLN 23 1HB GLN 23 2.010 8.432 2.588 135 HB3 GLN 23 2HB GLN 23 2.950 9.850 2.144 136 HG2 GLN 23 1HG GLN 23 1.977 9.611 4.942 137 HG3 GLN 23 2HG GLN 23 3.331 8.607 4.425 138 HE21 GLN 23 1HE2 GLN 23 5.209 9.680 3.570 139 HE22 GLN 23 2HE2 GLN 23 5.604 11.274 4.104 140 H VAL 24 H VAL 24 2.389 11.826 1.314 141 HA VAL 24 HA VAL 24 0.579 12.031 -0.954 142 HB VAL 24 HB VAL 24 1.995 13.785 -1.768 143 HG11 VAL 24 1HG1 VAL 24 0.550 14.627 -0.137 144 HG12 VAL 24 2HG1 VAL 24 1.445 13.867 1.181 145 HG13 VAL 24 3HG1 VAL 24 2.131 15.252 0.331 146 HG21 VAL 24 1HG2 VAL 24 3.939 12.827 0.319 147 HG22 VAL 24 2HG2 VAL 24 4.177 12.937 -1.425 148 HG23 VAL 24 3HG2 VAL 24 4.070 14.406 -0.455 149 H SER 25 H SER 25 1.339 11.737 -3.151 150 HA SER 25 HA SER 25 2.371 9.257 -3.695 151 HB2 SER 25 1HB SER 25 1.211 10.743 -5.335 152 HB3 SER 25 2HB SER 25 2.697 11.682 -5.477 153 HG SER 25 HG SER 25 3.318 10.260 -6.876 154 H TYR 26 H TYR 26 4.254 8.454 -3.042 155 HA TYR 26 HA TYR 26 6.714 9.661 -3.911 156 HB2 TYR 26 1HB TYR 26 7.641 10.297 -1.906 157 HB3 TYR 26 2HB TYR 26 5.953 10.687 -1.593 158 HD1 TYR 26 1HD TYR 26 8.489 8.007 -1.105 159 HD2 TYR 26 2HD TYR 26 4.853 9.755 0.245 160 HE1 TYR 26 1HE TYR 26 8.525 6.541 0.870 161 HE2 TYR 26 2HE TYR 26 4.879 8.295 2.224 162 HH TYR 26 HH TYR 26 7.123 6.976 3.509 163 H GLY 27 H GLY 27 8.601 8.287 -3.409 164 HA2 GLY 27 1HA GLY 27 9.623 6.233 -3.476 165 HA3 GLY 27 2HA GLY 27 8.479 5.775 -2.222 166 H GLU 28 H GLU 28 8.995 3.707 -3.571 167 HA GLU 28 HA GLU 28 7.715 3.389 -6.081 168 HB2 GLU 28 1HB GLU 28 8.580 1.351 -4.025 169 HB3 GLU 28 2HB GLU 28 7.997 0.944 -5.633 170 HG2 GLU 28 1HG GLU 28 10.402 0.880 -5.587 171 HG3 GLU 28 2HG GLU 28 9.857 2.205 -6.614 172 H MET 29 H MET 29 5.683 2.810 -6.608 173 HA MET 29 HA MET 29 3.866 1.916 -4.492 174 HB2 MET 29 1HB MET 29 3.300 4.202 -6.388 175 HB3 MET 29 2HB MET 29 2.119 3.475 -5.307 176 HG2 MET 29 1HG MET 29 3.581 4.123 -3.395 177 HG3 MET 29 2HG MET 29 4.592 5.000 -4.540 178 HE1 MET 29 1HE MET 29 0.858 5.619 -2.539 179 HE2 MET 29 2HE MET 29 0.167 5.630 -4.161 180 HE3 MET 29 3HE MET 29 1.112 4.244 -3.614 181 H ILE 30 H ILE 30 1.783 1.094 -5.398 182 HA ILE 30 HA ILE 30 2.032 0.126 -8.157 183 HB ILE 30 HB ILE 30 1.608 -2.111 -7.636 184 HG12 ILE 30 1HG1 ILE 30 -0.212 -1.759 -6.043 185 HG13 ILE 30 2HG1 ILE 30 0.957 -2.904 -5.393 186 HG21 ILE 30 1HG2 ILE 30 3.318 -2.725 -5.940 187 HG22 ILE 30 2HG2 ILE 30 3.889 -1.564 -7.137 188 HG23 ILE 30 3HG2 ILE 30 3.452 -1.018 -5.519 189 HD11 ILE 30 1HD1 ILE 30 0.416 -1.517 -3.602 190 HD12 ILE 30 2HD1 ILE 30 1.967 -0.904 -4.177 191 HD13 ILE 30 3HD1 ILE 30 0.475 -0.060 -4.593 192 H GLY 31 H GLY 31 -0.055 -0.897 -8.915 193 HA2 GLY 31 1HA GLY 31 -2.329 0.602 -7.769 194 HA3 GLY 31 2HA GLY 31 -2.145 0.267 -9.484 195 H CYS 32 H CYS 32 -3.321 -0.869 -6.479 196 HA CYS 32 HA CYS 32 -3.520 -3.527 -6.534 197 HB2 CYS 32 1HB CYS 32 -4.734 -1.948 -4.977 198 HB3 CYS 32 2HB CYS 32 -5.993 -1.824 -6.202 199 H ASP 33 H ASP 33 -4.419 -5.141 -7.701 200 HA ASP 33 HA ASP 33 -5.107 -4.687 -10.397 201 HB2 ASP 33 1HB ASP 33 -5.180 -7.059 -8.573 202 HB3 ASP 33 2HB ASP 33 -5.976 -7.159 -10.141 203 H ASN 34 H ASN 34 -7.057 -5.273 -7.513 204 HA ASN 34 HA ASN 34 -9.542 -5.648 -8.695 205 HB2 ASN 34 1HB ASN 34 -8.757 -5.699 -6.176 206 HB3 ASN 34 2HB ASN 34 -9.339 -4.037 -6.183 207 HD21 ASN 34 1HD2 ASN 34 -11.093 -4.295 -4.910 208 HD22 ASN 34 2HD2 ASN 34 -12.455 -5.273 -5.326 209 HA PRO 35 HA PRO 35 -10.113 -1.673 -10.627 210 HB2 PRO 35 1HB PRO 35 -12.584 -2.205 -11.619 211 HB3 PRO 35 2HB PRO 35 -11.100 -2.827 -12.352 212 HG2 PRO 35 1HG PRO 35 -13.022 -4.197 -10.510 213 HG3 PRO 35 2HG PRO 35 -12.230 -4.823 -11.968 214 HD2 PRO 35 1HD PRO 35 -11.356 -5.405 -9.473 215 HD3 PRO 35 2HD PRO 35 -10.258 -5.264 -10.861 216 H ASP 36 H ASP 36 -12.236 -3.180 -8.299 217 HA ASP 36 HA ASP 36 -13.930 -0.902 -7.926 218 HB2 ASP 36 1HB ASP 36 -14.323 -3.449 -7.355 219 HB3 ASP 36 2HB ASP 36 -13.597 -2.994 -5.816 220 H CYS 37 H CYS 37 -11.081 -2.209 -6.304 221 HA CYS 37 HA CYS 37 -10.890 -0.870 -3.990 222 HB2 CYS 37 1HB CYS 37 -9.120 -2.305 -5.224 223 HB3 CYS 37 2HB CYS 37 -8.544 -0.771 -5.869 224 H SER 38 H SER 38 -11.373 1.146 -3.452 225 HA SER 38 HA SER 38 -11.490 3.292 -5.287 226 HB2 SER 38 1HB SER 38 -11.574 3.179 -2.272 227 HB3 SER 38 2HB SER 38 -11.725 4.692 -3.166 228 HG SER 38 HG SER 38 -13.643 4.078 -3.923 229 H ILE 39 H ILE 39 -9.142 2.424 -2.776 230 HA ILE 39 HA ILE 39 -7.460 4.680 -3.230 231 HB ILE 39 HB ILE 39 -6.870 2.047 -1.873 232 HG12 ILE 39 1HG1 ILE 39 -7.285 4.715 -0.546 233 HG13 ILE 39 2HG1 ILE 39 -8.653 3.683 -0.948 234 HG21 ILE 39 1HG2 ILE 39 -4.733 2.680 -2.057 235 HG22 ILE 39 2HG2 ILE 39 -5.164 4.318 -2.545 236 HG23 ILE 39 3HG2 ILE 39 -5.130 3.888 -0.836 237 HD11 ILE 39 1HD1 ILE 39 -8.318 2.896 1.123 238 HD12 ILE 39 2HD1 ILE 39 -7.076 1.920 0.339 239 HD13 ILE 39 3HD1 ILE 39 -6.633 3.415 1.163 240 H GLU 40 H GLU 40 -6.897 1.214 -3.885 241 HA GLU 40 HA GLU 40 -5.474 0.180 -5.346 242 HB2 GLU 40 1HB GLU 40 -7.391 0.978 -6.782 243 HB3 GLU 40 2HB GLU 40 -6.387 2.346 -7.241 244 HG2 GLU 40 1HG GLU 40 -4.728 0.818 -8.176 245 HG3 GLU 40 2HG GLU 40 -5.736 -0.554 -7.719 246 H TRP 41 H TRP 41 -4.072 1.869 -3.702 247 HA TRP 41 HA TRP 41 -1.704 2.300 -5.203 248 HB2 TRP 41 1HB TRP 41 -3.393 4.680 -4.501 249 HB3 TRP 41 2HB TRP 41 -1.639 4.826 -4.551 250 HD1 TRP 41 HD TRP 41 -4.640 4.896 -6.748 251 HE1 TRP 41 1HE TRP 41 -3.929 5.056 -9.217 252 HE3 TRP 41 3HE TRP 41 0.344 3.889 -6.223 253 HZ2 TRP 41 2HZ TRP 41 -1.568 4.789 -10.740 254 HZ3 TRP 41 3HZ TRP 41 1.760 3.860 -8.236 255 HH2 TRP 41 HH TRP 41 0.821 4.300 -10.447 256 H PHE 42 H PHE 42 -0.198 1.663 -3.822 257 HA PHE 42 HA PHE 42 -0.210 2.712 -1.096 258 HB2 PHE 42 1HB PHE 42 0.093 -0.239 -1.685 259 HB3 PHE 42 2HB PHE 42 0.148 0.525 -0.100 260 HD1 PHE 42 1HD PHE 42 -2.078 -0.075 -3.007 261 HD2 PHE 42 2HD PHE 42 -1.795 0.801 1.149 262 HE1 PHE 42 1HE PHE 42 -4.508 -0.385 -2.780 263 HE2 PHE 42 2HE PHE 42 -4.224 0.491 1.383 264 HZ PHE 42 HZ PHE 42 -5.584 -0.104 -0.583 265 H HIS 43 H HIS 43 1.854 2.470 -0.006 266 HA HIS 43 HA HIS 43 4.056 2.701 -1.888 267 HB2 HIS 43 1HB HIS 43 4.039 3.097 1.111 268 HB3 HIS 43 2HB HIS 43 5.336 3.547 0.008 269 HD2 HIS 43 2HD HIS 43 4.241 5.513 -2.034 270 HE1 HIS 43 1HE HIS 43 1.805 7.248 0.975 271 HE2 HIS 43 2HE HIS 43 2.734 7.502 -1.352 272 H PHE 44 H PHE 44 5.678 1.272 -2.134 273 HA PHE 44 HA PHE 44 5.448 -1.382 -1.557 274 HB2 PHE 44 1HB PHE 44 7.794 0.373 -2.131 275 HB3 PHE 44 2HB PHE 44 8.095 -1.288 -1.628 276 HD1 PHE 44 2HD PHE 44 5.612 0.344 -3.890 277 HD2 PHE 44 1HD PHE 44 8.622 -2.626 -3.406 278 HE1 PHE 44 2HE PHE 44 5.225 -0.420 -6.197 279 HE2 PHE 44 1HE PHE 44 8.240 -3.394 -5.712 280 HZ PHE 44 HZ PHE 44 6.539 -2.292 -7.110 281 H ALA 45 H ALA 45 7.817 0.646 0.168 282 HA ALA 45 HA ALA 45 8.494 -0.999 2.205 283 HB1 ALA 45 1HB ALA 45 9.057 0.927 3.516 284 HB2 ALA 45 2HB ALA 45 9.388 1.289 1.821 285 HB3 ALA 45 3HB ALA 45 7.942 1.938 2.595 286 H CYS 46 H CYS 46 5.676 1.177 2.221 287 HA CYS 46 HA CYS 46 4.702 0.602 4.748 288 HB2 CYS 46 1HB CYS 46 3.476 1.540 2.200 289 HB3 CYS 46 2HB CYS 46 2.391 1.006 3.479 290 H VAL 47 H VAL 47 3.893 -1.011 1.679 291 HA VAL 47 HA VAL 47 2.496 -3.116 3.139 292 HB VAL 47 HB VAL 47 1.826 -3.956 0.938 293 HG11 VAL 47 1HG1 VAL 47 1.372 -0.990 0.925 294 HG12 VAL 47 2HG1 VAL 47 0.268 -2.281 0.448 295 HG13 VAL 47 3HG1 VAL 47 0.651 -2.030 2.151 296 HG21 VAL 47 1HG2 VAL 47 2.944 -3.474 -0.919 297 HG22 VAL 47 2HG2 VAL 47 2.662 -1.749 -0.689 298 HG23 VAL 47 3HG2 VAL 47 4.069 -2.518 0.046 299 H GLY 48 H GLY 48 5.351 -2.900 3.456 300 HA2 GLY 48 1HA GLY 48 7.324 -4.093 3.119 301 HA3 GLY 48 2HA GLY 48 6.250 -5.406 3.577 302 H LEU 49 H LEU 49 7.259 -3.520 0.735 303 HA LEU 49 HA LEU 49 6.976 -5.977 -0.866 304 HB2 LEU 49 1HB LEU 49 6.291 -3.156 -1.405 305 HB3 LEU 49 2HB LEU 49 7.016 -4.050 -2.740 306 HG LEU 49 HG LEU 49 4.457 -4.722 -1.291 307 HD11 LEU 49 1HD1 LEU 49 5.123 -3.251 -3.728 308 HD12 LEU 49 2HD1 LEU 49 3.650 -3.239 -2.758 309 HD13 LEU 49 3HD1 LEU 49 3.908 -4.510 -3.953 310 HD21 LEU 49 1HD2 LEU 49 6.264 -6.422 -2.699 311 HD22 LEU 49 2HD2 LEU 49 4.783 -6.252 -3.640 312 HD23 LEU 49 3HD2 LEU 49 4.707 -6.817 -1.971 313 H THR 50 H THR 50 9.044 -6.756 -0.642 314 HA THR 50 HA THR 50 11.406 -5.267 -0.729 315 HB THR 50 HB THR 50 11.088 -8.121 -1.674 316 HG1 THR 50 1HG THR 50 11.854 -8.332 0.701 317 HG21 THR 50 1HG2 THR 50 13.273 -6.834 -2.061 318 HG22 THR 50 2HG2 THR 50 13.379 -8.389 -1.237 319 HG23 THR 50 3HG2 THR 50 13.467 -6.892 -0.310 320 H THR 51 H THR 51 9.475 -6.678 -3.312 321 HA THR 51 HA THR 51 10.851 -5.000 -5.244 322 HB THR 51 HB THR 51 11.262 -6.839 -6.823 323 HG1 THR 51 1HG THR 51 10.294 -8.669 -6.420 324 HG21 THR 51 1HG2 THR 51 13.083 -6.108 -5.358 325 HG22 THR 51 2HG2 THR 51 13.190 -7.838 -5.686 326 HG23 THR 51 3HG2 THR 51 12.571 -7.270 -4.135 327 H LYS 52 H LYS 52 9.795 -5.223 -7.452 328 HA LYS 52 HA LYS 52 7.014 -4.805 -7.184 329 HB2 LYS 52 1HB LYS 52 8.638 -3.887 -8.964 330 HB3 LYS 52 2HB LYS 52 8.379 -5.415 -9.795 331 HG2 LYS 52 1HG LYS 52 6.085 -4.965 -10.116 332 HG3 LYS 52 2HG LYS 52 6.118 -3.611 -8.984 333 HD2 LYS 52 1HD LYS 52 7.742 -2.491 -10.557 334 HD3 LYS 52 2HD LYS 52 7.377 -3.770 -11.717 335 HE2 LYS 52 1HE LYS 52 5.991 -1.901 -12.240 336 HE3 LYS 52 2HE LYS 52 4.964 -3.142 -11.522 337 HZ1 LYS 52 1HZ LYS 52 4.391 -1.762 -9.903 338 HZ2 LYS 52 2HZ LYS 52 5.188 -0.519 -10.726 339 HZ3 LYS 52 3HZ LYS 52 6.002 -1.400 -9.533 340 HA PRO 53 HA PRO 53 5.834 -9.114 -7.255 341 HB2 PRO 53 1HB PRO 53 3.172 -8.656 -6.982 342 HB3 PRO 53 2HB PRO 53 4.305 -8.570 -5.628 343 HG2 PRO 53 1HG PRO 53 3.148 -6.353 -7.273 344 HG3 PRO 53 2HG PRO 53 3.379 -6.440 -5.517 345 HD2 PRO 53 1HD PRO 53 5.071 -5.089 -7.142 346 HD3 PRO 53 2HD PRO 53 5.614 -5.894 -5.656 347 H ARG 54 H ARG 54 6.320 -9.617 -9.405 348 HA ARG 54 HA ARG 54 5.019 -8.636 -11.670 349 HB2 ARG 54 1HB ARG 54 6.661 -11.033 -11.045 350 HB3 ARG 54 2HB ARG 54 5.708 -11.080 -12.522 351 HG2 ARG 54 1HG ARG 54 7.466 -8.736 -11.936 352 HG3 ARG 54 2HG ARG 54 8.140 -10.222 -12.608 353 HD2 ARG 54 1HD ARG 54 6.501 -10.079 -14.457 354 HD3 ARG 54 2HD ARG 54 5.942 -8.539 -13.803 355 HE ARG 54 HE ARG 54 7.859 -7.525 -14.599 356 HH11 ARG 54 2HH1 ARG 54 8.090 -10.982 -14.941 357 HH12 ARG 54 1HH1 ARG 54 9.490 -10.919 -15.960 358 HH21 ARG 54 2HH2 ARG 54 9.701 -7.429 -15.940 359 HH22 ARG 54 1HH2 ARG 54 10.406 -8.897 -16.527 360 H GLY 55 H GLY 55 3.498 -9.733 -13.094 361 HA2 GLY 55 1HA GLY 55 1.640 -11.051 -13.553 362 HA3 GLY 55 2HA GLY 55 1.835 -11.822 -11.986 363 H LYS 56 H LYS 56 0.726 -11.052 -10.225 364 HA LYS 56 HA LYS 56 -0.948 -8.674 -10.601 365 HB2 LYS 56 1HB LYS 56 -1.891 -11.439 -9.877 366 HB3 LYS 56 2HB LYS 56 -2.810 -10.008 -9.429 367 HG2 LYS 56 1HG LYS 56 -2.671 -9.412 -11.935 368 HG3 LYS 56 2HG LYS 56 -2.247 -11.111 -12.150 369 HD2 LYS 56 1HD LYS 56 -4.315 -11.780 -11.045 370 HD3 LYS 56 2HD LYS 56 -4.733 -10.085 -10.778 371 HE2 LYS 56 1HE LYS 56 -5.169 -9.707 -13.018 372 HE3 LYS 56 2HE LYS 56 -4.178 -11.065 -13.546 373 HZ1 LYS 56 1HZ LYS 56 -6.953 -10.998 -12.961 374 HZ2 LYS 56 2HZ LYS 56 -6.180 -12.157 -12.003 375 HZ3 LYS 56 3HZ LYS 56 -6.045 -12.227 -13.687 376 H TRP 57 H TRP 57 -1.841 -7.841 -8.572 377 HA TRP 57 HA TRP 57 -0.721 -8.816 -6.095 378 HB2 TRP 57 1HB TRP 57 1.144 -7.483 -6.945 379 HB3 TRP 57 2HB TRP 57 0.075 -6.101 -7.169 380 HD1 TRP 57 HD TRP 57 1.977 -8.012 -4.480 381 HE1 TRP 57 1HE TRP 57 1.938 -6.644 -2.300 382 HE3 TRP 57 3HE TRP 57 -1.349 -4.383 -5.859 383 HZ2 TRP 57 2HZ TRP 57 0.665 -4.333 -1.298 384 HZ3 TRP 57 3HZ TRP 57 -1.925 -2.630 -4.231 385 HH2 TRP 57 HH TRP 57 -0.938 -2.608 -1.997 386 H PHE 58 H PHE 58 -2.403 -8.748 -4.772 387 HA PHE 58 HA PHE 58 -4.333 -6.546 -5.041 388 HB2 PHE 58 1HB PHE 58 -4.655 -9.267 -3.758 389 HB3 PHE 58 2HB PHE 58 -5.903 -8.027 -3.823 390 HD1 PHE 58 2HD PHE 58 -6.539 -7.181 -6.198 391 HD2 PHE 58 1HD PHE 58 -4.546 -10.860 -5.419 392 HE1 PHE 58 2HE PHE 58 -7.280 -8.040 -8.381 393 HE2 PHE 58 1HE PHE 58 -5.282 -11.725 -7.602 394 HZ PHE 58 HZ PHE 58 -6.652 -10.315 -9.085 395 H CYS 59 H CYS 59 -4.311 -5.006 -3.555 396 HA CYS 59 HA CYS 59 -2.578 -4.788 -1.448 397 HB2 CYS 59 1HB CYS 59 -3.834 -2.934 -0.711 398 HB3 CYS 59 2HB CYS 59 -4.130 -3.013 -2.445 399 HA PRO 60 HA PRO 60 -3.935 -7.395 1.811 400 HB2 PRO 60 1HB PRO 60 -3.260 -5.918 3.987 401 HB3 PRO 60 2HB PRO 60 -2.065 -6.727 2.966 402 HG2 PRO 60 1HG PRO 60 -2.928 -3.860 2.964 403 HG3 PRO 60 2HG PRO 60 -1.294 -4.536 2.835 404 HD2 PRO 60 1HD PRO 60 -2.682 -3.660 0.682 405 HD3 PRO 60 2HD PRO 60 -1.530 -5.008 0.591 406 H ARG 61 H ARG 61 -5.600 -4.739 0.928 407 HA ARG 61 HA ARG 61 -7.472 -4.869 3.194 408 HB2 ARG 61 1HB ARG 61 -7.250 -2.756 1.042 409 HB3 ARG 61 2HB ARG 61 -8.329 -2.714 2.429 410 HG2 ARG 61 1HG ARG 61 -6.525 -2.445 3.940 411 HG3 ARG 61 2HG ARG 61 -5.337 -2.810 2.686 412 HD2 ARG 61 1HD ARG 61 -5.574 -0.377 3.269 413 HD3 ARG 61 2HD ARG 61 -5.771 -0.766 1.561 414 HE ARG 61 HE ARG 61 -7.965 -0.099 1.687 415 HH11 ARG 61 2HH1 ARG 61 -6.650 -0.407 4.896 416 HH12 ARG 61 1HH1 ARG 61 -8.013 0.336 5.667 417 HH21 ARG 61 2HH2 ARG 61 -9.765 0.881 2.690 418 HH22 ARG 61 1HH2 ARG 61 -9.784 1.067 4.411 419 H CYS 62 H CYS 62 -7.056 -5.625 -0.122 420 HA CYS 62 HA CYS 62 -9.942 -5.992 -0.511 421 HB2 CYS 62 1HB CYS 62 -7.630 -5.951 -2.456 422 HB3 CYS 62 2HB CYS 62 -9.271 -6.397 -2.916 423 H SER 63 H SER 63 -6.881 -7.714 -0.441 424 HA SER 63 HA SER 63 -8.090 -10.238 -1.164 425 HB2 SER 63 1HB SER 63 -5.621 -9.369 -1.563 426 HB3 SER 63 2HB SER 63 -5.357 -10.067 0.035 427 HG SER 63 HG SER 63 -6.618 -11.928 -1.113 428 H GLN 64 H GLN 64 -8.829 -8.670 1.335 429 HA GLN 64 HA GLN 64 -8.289 -10.787 3.310 430 HB2 GLN 64 1HB GLN 64 -8.899 -9.030 5.008 431 HB3 GLN 64 2HB GLN 64 -7.416 -8.722 4.113 432 HG2 GLN 64 1HG GLN 64 -8.282 -6.931 3.013 433 HG3 GLN 64 2HG GLN 64 -9.930 -7.558 3.060 434 HE21 GLN 64 1HE2 GLN 64 -7.456 -5.852 4.817 435 HE22 GLN 64 2HE2 GLN 64 -8.490 -5.202 6.039 436 H GLU 65 H GLU 65 -10.050 -11.992 2.272 437 HA GLU 65 HA GLU 65 -12.680 -11.069 3.231 438 HB2 GLU 65 1HB GLU 65 -11.932 -12.430 0.657 439 HB3 GLU 65 2HB GLU 65 -13.563 -12.549 1.302 440 HG2 GLU 65 1HG GLU 65 -12.266 -9.883 0.919 441 HG3 GLU 65 2HG GLU 65 -13.029 -10.722 -0.430 442 H SER 66 H SER 66 -13.534 -12.330 4.735 443 HA SER 66 HA SER 66 -12.360 -14.890 5.344 444 HB2 SER 66 1HB SER 66 -14.516 -13.211 6.605 445 HB3 SER 66 2HB SER 66 -14.232 -14.870 7.132 446 HG SER 66 HG SER 66 -12.836 -13.871 8.382 447 H GLY 67 H GLY 67 -13.446 -16.894 5.381 448 HA2 GLY 67 1HA GLY 67 -15.908 -17.000 3.754 449 HA3 GLY 67 2HA GLY 67 -14.564 -18.088 3.444 450 HA PRO 68 HA PRO 68 -17.638 -19.848 6.597 451 HB2 PRO 68 1HB PRO 68 -18.694 -21.792 5.024 452 HB3 PRO 68 2HB PRO 68 -19.379 -20.167 5.133 453 HG2 PRO 68 1HG PRO 68 -17.580 -21.327 3.041 454 HG3 PRO 68 2HG PRO 68 -19.011 -20.298 2.841 455 HD2 PRO 68 1HD PRO 68 -16.487 -19.328 2.698 456 HD3 PRO 68 2HD PRO 68 -17.845 -18.369 3.320 457 H SER 69 H SER 69 -14.808 -20.471 5.262 458 HA SER 69 HA SER 69 -14.087 -22.989 5.011 459 HB2 SER 69 1HB SER 69 -12.491 -21.105 5.341 460 HB3 SER 69 2HB SER 69 -12.760 -21.221 7.080 461 HG SER 69 HG SER 69 -12.075 -23.579 5.801 462 H SER 70 H SER 70 -14.366 -24.893 5.967 463 HA SER 70 HA SER 70 -15.882 -25.122 8.364 464 HB2 SER 70 1HB SER 70 -14.493 -27.098 6.570 465 HB3 SER 70 2HB SER 70 -15.226 -27.613 8.088 466 HG SER 70 HG SER 70 -16.716 -26.054 6.293 467 H GLY 71 H GLY 71 -15.106 -24.773 10.332 468 HA2 GLY 71 1HA GLY 71 -13.674 -25.766 12.078 469 HA3 GLY 71 2HA GLY 71 -12.355 -25.682 10.919 Start of MODEL 9 1 H1 GLY 1 H GLY 1 23.457 5.846 -1.383 2 HA2 GLY 1 1HA GLY 1 25.578 7.845 -1.186 3 HA3 GLY 1 2HA GLY 1 25.590 6.814 -2.610 4 H SER 2 H SER 2 22.832 8.214 -0.875 5 HA SER 2 HA SER 2 21.724 9.155 -3.368 6 HB2 SER 2 1HB SER 2 20.496 8.187 -1.242 7 HB3 SER 2 2HB SER 2 20.541 9.868 -0.713 8 HG SER 2 HG SER 2 19.628 10.284 -2.918 9 H SER 3 H SER 3 21.033 11.360 -3.718 10 HA SER 3 HA SER 3 23.093 13.235 -3.018 11 HB2 SER 3 1HB SER 3 21.848 14.799 -4.462 12 HB3 SER 3 2HB SER 3 22.101 13.248 -5.262 13 HG SER 3 HG SER 3 19.770 13.436 -3.803 14 H GLY 4 H GLY 4 23.077 13.948 -0.964 15 HA2 GLY 4 1HA GLY 4 20.647 14.427 0.489 16 HA3 GLY 4 2HA GLY 4 22.278 14.782 1.038 17 H SER 5 H SER 5 19.411 16.167 0.366 18 HA SER 5 HA SER 5 20.641 18.698 -0.508 19 HB2 SER 5 1HB SER 5 17.780 17.764 -0.840 20 HB3 SER 5 2HB SER 5 18.405 19.333 -1.349 21 HG SER 5 HG SER 5 19.954 18.029 -2.630 22 H SER 6 H SER 6 19.999 20.628 0.509 23 HA SER 6 HA SER 6 19.173 20.250 3.279 24 HB2 SER 6 1HB SER 6 21.193 21.613 2.722 25 HB3 SER 6 2HB SER 6 20.139 22.775 1.915 26 HG SER 6 HG SER 6 19.006 22.734 4.090 27 H GLY 7 H GLY 7 17.267 20.883 4.102 28 HA2 GLY 7 1HA GLY 7 15.335 22.237 4.253 29 HA3 GLY 7 2HA GLY 7 15.590 22.745 2.590 30 H ASP 8 H ASP 8 13.887 20.674 4.652 31 HA ASP 8 HA ASP 8 12.764 19.255 2.327 32 HB2 ASP 8 1HB ASP 8 12.221 17.452 4.161 33 HB3 ASP 8 2HB ASP 8 13.811 17.499 3.406 34 H MET 9 H MET 9 10.786 20.000 1.965 35 HA MET 9 HA MET 9 9.240 21.348 3.941 36 HB2 MET 9 1HB MET 9 7.602 21.643 2.243 37 HB3 MET 9 2HB MET 9 9.167 21.771 1.452 38 HG2 MET 9 1HG MET 9 8.798 19.211 1.018 39 HG3 MET 9 2HG MET 9 7.105 19.641 1.250 40 HE1 MET 9 1HE MET 9 6.514 19.755 -2.380 41 HE2 MET 9 2HE MET 9 6.442 18.822 -0.885 42 HE3 MET 9 3HE MET 9 5.644 20.392 -0.984 43 HA PRO 10 HA PRO 10 7.363 17.809 5.823 44 HB2 PRO 10 1HB PRO 10 5.439 19.139 7.202 45 HB3 PRO 10 2HB PRO 10 7.137 19.127 7.692 46 HG2 PRO 10 1HG PRO 10 5.613 21.222 6.191 47 HG3 PRO 10 2HG PRO 10 6.784 21.418 7.509 48 HD2 PRO 10 1HD PRO 10 7.436 21.804 4.909 49 HD3 PRO 10 2HD PRO 10 8.595 21.182 6.102 50 H VAL 11 H VAL 11 4.896 17.215 6.301 51 HA VAL 11 HA VAL 11 3.712 16.512 3.915 52 HB VAL 11 HB VAL 11 1.646 16.091 5.183 53 HG11 VAL 11 1HG1 VAL 11 4.178 14.961 5.615 54 HG12 VAL 11 2HG1 VAL 11 3.416 15.084 7.202 55 HG13 VAL 11 3HG1 VAL 11 2.604 14.219 5.897 56 HG21 VAL 11 1HG2 VAL 11 1.150 17.502 6.837 57 HG22 VAL 11 2HG2 VAL 11 2.313 16.610 7.818 58 HG23 VAL 11 3HG2 VAL 11 2.817 18.065 6.958 59 H ASP 12 H ASP 12 1.582 17.186 3.051 60 HA ASP 12 HA ASP 12 0.581 19.801 3.574 61 HB2 ASP 12 1HB ASP 12 1.128 20.450 1.050 62 HB3 ASP 12 2HB ASP 12 2.231 20.835 2.369 63 HA PRO 13 HA PRO 13 -2.927 17.892 1.727 64 HB2 PRO 13 1HB PRO 13 -4.430 20.106 1.265 65 HB3 PRO 13 2HB PRO 13 -4.184 19.432 2.881 66 HG2 PRO 13 1HG PRO 13 -2.807 21.739 1.561 67 HG3 PRO 13 2HG PRO 13 -3.409 21.597 3.223 68 HD2 PRO 13 1HD PRO 13 -0.795 21.285 2.590 69 HD3 PRO 13 2HD PRO 13 -1.567 20.402 3.923 70 H ASN 14 H ASN 14 -1.064 20.316 0.088 71 HA ASN 14 HA ASN 14 -2.248 20.723 -2.304 72 HB2 ASN 14 1HB ASN 14 0.661 19.937 -2.053 73 HB3 ASN 14 2HB ASN 14 -0.061 20.957 -3.295 74 HD21 ASN 14 1HD2 ASN 14 2.002 21.254 -1.020 75 HD22 ASN 14 2HD2 ASN 14 1.561 22.759 -0.293 76 H GLU 15 H GLU 15 -0.266 17.863 -1.535 77 HA GLU 15 HA GLU 15 -1.257 16.546 -3.949 78 HB2 GLU 15 1HB GLU 15 0.998 16.011 -2.046 79 HB3 GLU 15 2HB GLU 15 0.401 14.724 -3.085 80 HG2 GLU 15 1HG GLU 15 1.333 17.393 -4.107 81 HG3 GLU 15 2HG GLU 15 2.372 15.976 -3.967 82 HA PRO 16 HA PRO 16 -4.251 14.158 -1.783 83 HB2 PRO 16 1HB PRO 16 -4.452 12.060 -3.495 84 HB3 PRO 16 2HB PRO 16 -5.124 13.657 -3.848 85 HG2 PRO 16 1HG PRO 16 -2.557 12.434 -4.782 86 HG3 PRO 16 2HG PRO 16 -3.744 13.380 -5.699 87 HD2 PRO 16 1HD PRO 16 -1.444 14.451 -4.754 88 HD3 PRO 16 2HD PRO 16 -2.943 15.390 -4.904 89 H THR 17 H THR 17 -4.607 11.911 -0.949 90 HA THR 17 HA THR 17 -2.075 10.513 -0.406 91 HB THR 17 HB THR 17 -2.989 10.043 1.915 92 HG1 THR 17 1HG THR 17 -4.919 10.798 2.300 93 HG21 THR 17 1HG2 THR 17 -1.331 11.509 2.275 94 HG22 THR 17 2HG2 THR 17 -2.602 12.724 2.417 95 HG23 THR 17 3HG2 THR 17 -1.778 12.485 0.877 96 H TYR 18 H TYR 18 -2.180 8.454 -0.991 97 HA TYR 18 HA TYR 18 -4.816 7.196 -1.276 98 HB2 TYR 18 1HB TYR 18 -2.146 6.310 -2.389 99 HB3 TYR 18 2HB TYR 18 -3.711 5.588 -2.745 100 HD1 TYR 18 1HD TYR 18 -1.943 8.872 -2.945 101 HD2 TYR 18 2HD TYR 18 -4.848 6.268 -4.644 102 HE1 TYR 18 1HE TYR 18 -2.222 10.424 -4.832 103 HE2 TYR 18 2HE TYR 18 -5.134 7.813 -6.536 104 HH TYR 18 HH TYR 18 -3.002 10.244 -7.264 105 H CYS 19 H CYS 19 -1.543 6.011 -0.498 106 HA CYS 19 HA CYS 19 -2.123 3.705 0.781 107 HB2 CYS 19 1HB CYS 19 0.164 4.361 0.493 108 HB3 CYS 19 2HB CYS 19 -0.046 5.766 1.532 109 H LEU 20 H LEU 20 -2.247 3.110 3.067 110 HA LEU 20 HA LEU 20 -4.363 4.405 4.383 111 HB2 LEU 20 1HB LEU 20 -2.336 2.540 5.604 112 HB3 LEU 20 2HB LEU 20 -3.954 2.888 6.211 113 HG LEU 20 HG LEU 20 -4.626 1.921 3.821 114 HD11 LEU 20 1HD1 LEU 20 -1.846 1.033 4.292 115 HD12 LEU 20 2HD1 LEU 20 -2.723 1.273 2.782 116 HD13 LEU 20 3HD1 LEU 20 -2.990 -0.187 3.733 117 HD21 LEU 20 1HD2 LEU 20 -5.242 -0.054 4.909 118 HD22 LEU 20 2HD2 LEU 20 -5.192 1.151 6.195 119 HD23 LEU 20 3HD2 LEU 20 -3.861 0.009 6.004 120 H CYS 21 H CYS 21 -0.865 4.478 4.942 121 HA CYS 21 HA CYS 21 -0.779 5.935 7.288 122 HB2 CYS 21 1HB CYS 21 1.468 6.488 6.740 123 HB3 CYS 21 2HB CYS 21 1.165 4.908 6.024 124 H HIS 22 H HIS 22 -1.958 6.916 4.268 125 HA HIS 22 HA HIS 22 -2.855 8.872 3.526 126 HB2 HIS 22 1HB HIS 22 -2.367 9.840 6.350 127 HB3 HIS 22 2HB HIS 22 -3.385 10.633 5.151 128 HD1 HIS 22 1HD HIS 22 -5.432 8.970 4.266 129 HD2 HIS 22 2HD HIS 22 -3.752 8.200 7.987 130 HE1 HIS 22 1HE HIS 22 -7.118 7.558 5.486 131 HE2 HIS 22 2HE HIS 22 -6.117 7.176 7.765 132 H GLN 23 H GLN 23 -0.397 8.527 2.682 133 HA GLN 23 HA GLN 23 0.996 11.078 3.161 134 HB2 GLN 23 1HB GLN 23 2.016 8.332 2.513 135 HB3 GLN 23 2HB GLN 23 2.975 9.752 2.116 136 HG2 GLN 23 1HG GLN 23 1.915 9.518 4.876 137 HG3 GLN 23 2HG GLN 23 3.250 8.468 4.404 138 HE21 GLN 23 1HE2 GLN 23 2.238 11.721 5.023 139 HE22 GLN 23 2HE2 GLN 23 3.812 12.432 5.024 140 H VAL 24 H VAL 24 2.281 11.849 1.243 141 HA VAL 24 HA VAL 24 0.527 11.975 -1.041 142 HB VAL 24 HB VAL 24 2.017 13.641 -1.921 143 HG11 VAL 24 1HG1 VAL 24 2.037 15.263 -0.088 144 HG12 VAL 24 2HG1 VAL 24 0.522 14.359 -0.133 145 HG13 VAL 24 3HG1 VAL 24 1.752 13.962 1.067 146 HG21 VAL 24 1HG2 VAL 24 3.928 12.568 0.124 147 HG22 VAL 24 2HG2 VAL 24 4.174 12.818 -1.605 148 HG23 VAL 24 3HG2 VAL 24 4.103 14.203 -0.515 149 H SER 25 H SER 25 1.308 11.655 -3.254 150 HA SER 25 HA SER 25 2.244 9.092 -3.717 151 HB2 SER 25 1HB SER 25 1.033 10.392 -5.406 152 HB3 SER 25 2HB SER 25 2.407 11.486 -5.565 153 HG SER 25 HG SER 25 3.127 8.882 -5.875 154 H TYR 26 H TYR 26 4.129 8.423 -2.857 155 HA TYR 26 HA TYR 26 6.573 9.601 -3.914 156 HB2 TYR 26 1HB TYR 26 7.589 10.069 -1.870 157 HB3 TYR 26 2HB TYR 26 5.937 10.620 -1.610 158 HD1 TYR 26 1HD TYR 26 8.154 7.673 -1.076 159 HD2 TYR 26 2HD TYR 26 4.730 9.839 0.222 160 HE1 TYR 26 1HE TYR 26 7.986 6.214 0.897 161 HE2 TYR 26 2HE TYR 26 4.554 8.387 2.200 162 HH TYR 26 HH TYR 26 5.237 6.257 2.986 163 H GLY 27 H GLY 27 8.494 8.229 -3.428 164 HA2 GLY 27 1HA GLY 27 9.524 6.184 -3.611 165 HA3 GLY 27 2HA GLY 27 8.411 5.679 -2.348 166 H GLU 28 H GLU 28 9.013 3.700 -3.882 167 HA GLU 28 HA GLU 28 7.617 3.454 -6.327 168 HB2 GLU 28 1HB GLU 28 8.912 1.538 -4.432 169 HB3 GLU 28 2HB GLU 28 7.879 0.908 -5.707 170 HG2 GLU 28 1HG GLU 28 9.269 1.776 -7.400 171 HG3 GLU 28 2HG GLU 28 10.158 2.782 -6.258 172 H MET 29 H MET 29 5.544 3.056 -6.751 173 HA MET 29 HA MET 29 3.855 1.929 -4.625 174 HB2 MET 29 1HB MET 29 3.082 4.237 -6.418 175 HB3 MET 29 2HB MET 29 2.060 3.486 -5.200 176 HG2 MET 29 1HG MET 29 3.786 4.169 -3.499 177 HG3 MET 29 2HG MET 29 4.539 5.125 -4.773 178 HE1 MET 29 1HE MET 29 0.327 5.859 -3.046 179 HE2 MET 29 2HE MET 29 0.628 4.549 -4.188 180 HE3 MET 29 3HE MET 29 1.397 4.529 -2.601 181 H ILE 30 H ILE 30 1.821 1.002 -5.436 182 HA ILE 30 HA ILE 30 2.031 0.111 -8.236 183 HB ILE 30 HB ILE 30 1.467 -2.097 -7.703 184 HG12 ILE 30 1HG1 ILE 30 -0.356 -1.662 -6.152 185 HG13 ILE 30 2HG1 ILE 30 0.764 -2.816 -5.437 186 HG21 ILE 30 1HG2 ILE 30 3.770 -1.642 -7.170 187 HG22 ILE 30 2HG2 ILE 30 3.326 -1.089 -5.556 188 HG23 ILE 30 3HG2 ILE 30 3.123 -2.785 -5.994 189 HD11 ILE 30 1HD1 ILE 30 0.256 0.029 -4.708 190 HD12 ILE 30 2HD1 ILE 30 0.319 -1.403 -3.680 191 HD13 ILE 30 3HD1 ILE 30 1.808 -0.718 -4.330 192 H GLY 31 H GLY 31 -0.095 -0.865 -9.011 193 HA2 GLY 31 1HA GLY 31 -2.321 0.773 -7.964 194 HA3 GLY 31 2HA GLY 31 -2.105 0.406 -9.669 195 H CYS 32 H CYS 32 -3.370 -0.660 -6.661 196 HA CYS 32 HA CYS 32 -3.696 -3.331 -6.811 197 HB2 CYS 32 1HB CYS 32 -4.683 -1.831 -5.070 198 HB3 CYS 32 2HB CYS 32 -5.974 -1.438 -6.201 199 H ASP 33 H ASP 33 -4.646 -4.800 -8.085 200 HA ASP 33 HA ASP 33 -5.601 -4.074 -10.646 201 HB2 ASP 33 1HB ASP 33 -4.489 -6.258 -10.007 202 HB3 ASP 33 2HB ASP 33 -6.023 -6.736 -9.285 203 H ASN 34 H ASN 34 -7.214 -5.005 -7.652 204 HA ASN 34 HA ASN 34 -9.790 -5.418 -8.525 205 HB2 ASN 34 1HB ASN 34 -8.625 -5.301 -6.089 206 HB3 ASN 34 2HB ASN 34 -9.535 -3.794 -6.062 207 HD21 ASN 34 1HD2 ASN 34 -10.915 -4.540 -4.465 208 HD22 ASN 34 2HD2 ASN 34 -12.139 -5.719 -4.779 209 HA PRO 35 HA PRO 35 -10.751 -1.463 -10.346 210 HB2 PRO 35 1HB PRO 35 -13.282 -2.112 -11.080 211 HB3 PRO 35 2HB PRO 35 -11.855 -2.652 -11.972 212 HG2 PRO 35 1HG PRO 35 -13.501 -4.132 -9.957 213 HG3 PRO 35 2HG PRO 35 -12.837 -4.706 -11.498 214 HD2 PRO 35 1HD PRO 35 -11.677 -5.261 -9.115 215 HD3 PRO 35 2HD PRO 35 -10.739 -5.055 -10.609 216 H ASP 36 H ASP 36 -12.744 -3.131 -7.963 217 HA ASP 36 HA ASP 36 -14.424 -0.929 -7.348 218 HB2 ASP 36 1HB ASP 36 -14.814 -2.268 -5.193 219 HB3 ASP 36 2HB ASP 36 -15.254 -3.038 -6.714 220 H CYS 37 H CYS 37 -11.402 -2.139 -5.970 221 HA CYS 37 HA CYS 37 -11.048 -0.828 -3.676 222 HB2 CYS 37 1HB CYS 37 -9.323 -2.126 -5.088 223 HB3 CYS 37 2HB CYS 37 -8.918 -0.561 -5.786 224 H SER 38 H SER 38 -10.811 1.201 -2.892 225 HA SER 38 HA SER 38 -11.495 3.387 -4.680 226 HB2 SER 38 1HB SER 38 -11.287 3.130 -1.684 227 HB3 SER 38 2HB SER 38 -11.489 4.697 -2.467 228 HG SER 38 HG SER 38 -13.353 3.586 -3.550 229 H ILE 39 H ILE 39 -8.878 2.504 -2.454 230 HA ILE 39 HA ILE 39 -7.302 4.807 -2.948 231 HB ILE 39 HB ILE 39 -6.437 2.091 -1.949 232 HG12 ILE 39 1HG1 ILE 39 -6.938 4.568 -0.307 233 HG13 ILE 39 2HG1 ILE 39 -8.216 3.405 -0.645 234 HG21 ILE 39 1HG2 ILE 39 -4.400 3.007 -1.325 235 HG22 ILE 39 2HG2 ILE 39 -4.691 3.739 -2.901 236 HG23 ILE 39 3HG2 ILE 39 -4.997 4.662 -1.431 237 HD11 ILE 39 1HD1 ILE 39 -5.618 2.594 0.610 238 HD12 ILE 39 2HD1 ILE 39 -6.989 3.174 1.557 239 HD13 ILE 39 3HD1 ILE 39 -7.148 1.717 0.576 240 H GLU 40 H GLU 40 -6.625 1.435 -3.905 241 HA GLU 40 HA GLU 40 -5.577 0.550 -5.720 242 HB2 GLU 40 1HB GLU 40 -6.124 3.038 -7.293 243 HB3 GLU 40 2HB GLU 40 -6.158 1.361 -7.819 244 HG2 GLU 40 1HG GLU 40 -8.163 1.253 -6.091 245 HG3 GLU 40 2HG GLU 40 -8.244 2.973 -6.471 246 H TRP 41 H TRP 41 -4.094 2.207 -3.836 247 HA TRP 41 HA TRP 41 -1.644 2.379 -5.279 248 HB2 TRP 41 1HB TRP 41 -3.063 4.926 -4.522 249 HB3 TRP 41 2HB TRP 41 -1.311 4.860 -4.699 250 HD1 TRP 41 HD TRP 41 -4.473 5.166 -6.689 251 HE1 TRP 41 1HE TRP 41 -3.912 5.304 -9.197 252 HE3 TRP 41 3HE TRP 41 0.474 3.891 -6.485 253 HZ2 TRP 41 2HZ TRP 41 -1.669 4.923 -10.868 254 HZ3 TRP 41 3HZ TRP 41 1.756 3.800 -8.584 255 HH2 TRP 41 HH TRP 41 0.705 4.305 -10.729 256 H PHE 42 H PHE 42 -0.048 1.912 -3.910 257 HA PHE 42 HA PHE 42 -0.207 2.768 -1.128 258 HB2 PHE 42 1HB PHE 42 0.128 -0.129 -1.936 259 HB3 PHE 42 2HB PHE 42 0.309 0.494 -0.300 260 HD1 PHE 42 1HD PHE 42 -2.138 0.203 -3.077 261 HD2 PHE 42 2HD PHE 42 -1.527 0.630 1.114 262 HE1 PHE 42 1HE PHE 42 -4.549 -0.113 -2.697 263 HE2 PHE 42 2HE PHE 42 -3.936 0.313 1.501 264 HZ PHE 42 HZ PHE 42 -5.450 -0.060 -0.406 265 H HIS 43 H HIS 43 1.893 1.835 0.028 266 HA HIS 43 HA HIS 43 4.135 2.484 -1.765 267 HB2 HIS 43 1HB HIS 43 3.960 2.744 1.245 268 HB3 HIS 43 2HB HIS 43 5.348 3.189 0.256 269 HD2 HIS 43 2HD HIS 43 4.667 5.363 -1.642 270 HE1 HIS 43 1HE HIS 43 1.724 6.895 1.002 271 HE2 HIS 43 2HE HIS 43 3.076 7.324 -1.080 272 H PHE 44 H PHE 44 5.628 0.986 -2.165 273 HA PHE 44 HA PHE 44 5.420 -1.664 -1.655 274 HB2 PHE 44 1HB PHE 44 7.788 0.090 -2.161 275 HB3 PHE 44 2HB PHE 44 8.058 -1.602 -1.756 276 HD1 PHE 44 2HD PHE 44 5.526 0.138 -3.873 277 HD2 PHE 44 1HD PHE 44 8.616 -2.780 -3.641 278 HE1 PHE 44 2HE PHE 44 5.108 -0.485 -6.216 279 HE2 PHE 44 1HE PHE 44 8.204 -3.408 -5.984 280 HZ PHE 44 HZ PHE 44 6.448 -2.261 -7.274 281 H ALA 45 H ALA 45 6.930 0.739 0.440 282 HA ALA 45 HA ALA 45 7.923 -1.124 2.348 283 HB1 ALA 45 1HB ALA 45 8.164 0.889 3.804 284 HB2 ALA 45 2HB ALA 45 8.931 1.039 2.222 285 HB3 ALA 45 3HB ALA 45 7.389 1.835 2.533 286 H CYS 46 H CYS 46 5.161 1.135 2.476 287 HA CYS 46 HA CYS 46 4.090 0.380 4.895 288 HB2 CYS 46 1HB CYS 46 2.932 1.500 2.383 289 HB3 CYS 46 2HB CYS 46 1.821 0.928 3.624 290 H VAL 47 H VAL 47 3.419 -1.038 1.705 291 HA VAL 47 HA VAL 47 1.670 -3.047 2.763 292 HB VAL 47 HB VAL 47 1.659 -3.989 0.526 293 HG11 VAL 47 1HG1 VAL 47 0.524 -2.272 -0.515 294 HG12 VAL 47 2HG1 VAL 47 0.493 -1.747 1.169 295 HG13 VAL 47 3HG1 VAL 47 1.655 -1.041 0.045 296 HG21 VAL 47 1HG2 VAL 47 3.032 -2.854 -1.259 297 HG22 VAL 47 2HG2 VAL 47 3.954 -2.101 0.042 298 HG23 VAL 47 3HG2 VAL 47 3.937 -3.857 -0.125 299 H GLY 48 H GLY 48 5.041 -2.960 1.674 300 HA2 GLY 48 1HA GLY 48 6.708 -4.295 2.772 301 HA3 GLY 48 2HA GLY 48 5.469 -5.493 3.111 302 H LEU 49 H LEU 49 5.942 -3.935 -0.003 303 HA LEU 49 HA LEU 49 6.351 -6.557 -1.205 304 HB2 LEU 49 1HB LEU 49 5.695 -3.837 -2.276 305 HB3 LEU 49 2HB LEU 49 6.237 -5.126 -3.349 306 HG LEU 49 HG LEU 49 3.860 -5.473 -1.545 307 HD11 LEU 49 1HD1 LEU 49 3.666 -4.592 -4.406 308 HD12 LEU 49 2HD1 LEU 49 3.689 -3.434 -3.076 309 HD13 LEU 49 3HD1 LEU 49 2.405 -4.639 -3.173 310 HD21 LEU 49 1HD2 LEU 49 5.275 -7.185 -3.220 311 HD22 LEU 49 2HD2 LEU 49 3.827 -6.757 -4.132 312 HD23 LEU 49 3HD2 LEU 49 3.679 -7.462 -2.521 313 H THR 50 H THR 50 8.411 -7.223 -1.077 314 HA THR 50 HA THR 50 10.686 -5.603 -0.986 315 HB THR 50 HB THR 50 10.769 -7.926 -0.274 316 HG1 THR 50 1HG THR 50 12.650 -6.764 -1.367 317 HG21 THR 50 1HG2 THR 50 10.277 -8.532 -3.188 318 HG22 THR 50 2HG2 THR 50 9.280 -8.993 -1.807 319 HG23 THR 50 3HG2 THR 50 10.870 -9.722 -2.030 320 H THR 51 H THR 51 8.979 -7.033 -3.714 321 HA THR 51 HA THR 51 10.400 -5.231 -5.511 322 HB THR 51 HB THR 51 10.223 -8.183 -6.133 323 HG1 THR 51 1HG THR 51 12.650 -7.843 -5.919 324 HG21 THR 51 1HG2 THR 51 10.212 -6.722 -8.094 325 HG22 THR 51 2HG2 THR 51 11.731 -7.610 -7.981 326 HG23 THR 51 3HG2 THR 51 11.665 -5.913 -7.509 327 H LYS 52 H LYS 52 9.285 -4.768 -7.425 328 HA LYS 52 HA LYS 52 6.581 -4.523 -7.362 329 HB2 LYS 52 1HB LYS 52 8.391 -3.731 -9.115 330 HB3 LYS 52 2HB LYS 52 7.827 -5.137 -10.008 331 HG2 LYS 52 1HG LYS 52 5.487 -4.194 -9.717 332 HG3 LYS 52 2HG LYS 52 6.274 -2.703 -9.194 333 HD2 LYS 52 1HD LYS 52 7.623 -2.924 -11.390 334 HD3 LYS 52 2HD LYS 52 6.344 -4.039 -11.877 335 HE2 LYS 52 1HE LYS 52 5.671 -1.330 -10.796 336 HE3 LYS 52 2HE LYS 52 6.146 -1.524 -12.482 337 HZ1 LYS 52 1HZ LYS 52 3.642 -1.727 -11.653 338 HZ2 LYS 52 2HZ LYS 52 4.103 -3.346 -11.499 339 HZ3 LYS 52 3HZ LYS 52 4.232 -2.569 -12.996 340 HA PRO 53 HA PRO 53 5.226 -8.774 -7.587 341 HB2 PRO 53 1HB PRO 53 2.579 -8.212 -7.365 342 HB3 PRO 53 2HB PRO 53 3.680 -8.212 -5.983 343 HG2 PRO 53 1HG PRO 53 2.657 -5.902 -7.590 344 HG3 PRO 53 2HG PRO 53 2.840 -6.049 -5.832 345 HD2 PRO 53 1HD PRO 53 4.626 -4.725 -7.377 346 HD3 PRO 53 2HD PRO 53 5.099 -5.593 -5.903 347 H ARG 54 H ARG 54 5.683 -9.328 -9.707 348 HA ARG 54 HA ARG 54 4.527 -8.206 -11.995 349 HB2 ARG 54 1HB ARG 54 5.965 -10.736 -11.374 350 HB3 ARG 54 2HB ARG 54 5.077 -10.658 -12.890 351 HG2 ARG 54 1HG ARG 54 7.241 -9.995 -13.442 352 HG3 ARG 54 2HG ARG 54 6.339 -8.483 -13.318 353 HD2 ARG 54 1HD ARG 54 7.297 -7.955 -11.243 354 HD3 ARG 54 2HD ARG 54 7.861 -9.605 -10.988 355 HE ARG 54 HE ARG 54 9.151 -7.540 -12.552 356 HH11 ARG 54 2HH1 ARG 54 8.936 -10.936 -11.813 357 HH12 ARG 54 1HH1 ARG 54 10.530 -11.295 -12.388 358 HH21 ARG 54 2HH2 ARG 54 11.252 -8.001 -13.312 359 HH22 ARG 54 1HH2 ARG 54 11.847 -9.625 -13.239 360 H GLY 55 H GLY 55 3.036 -9.305 -13.518 361 HA2 GLY 55 1HA GLY 55 1.040 -10.327 -14.037 362 HA3 GLY 55 2HA GLY 55 1.227 -11.297 -12.583 363 H LYS 56 H LYS 56 -0.420 -11.082 -11.242 364 HA LYS 56 HA LYS 56 -1.831 -8.500 -11.144 365 HB2 LYS 56 1HB LYS 56 -2.736 -11.326 -10.649 366 HB3 LYS 56 2HB LYS 56 -3.651 -9.956 -10.032 367 HG2 LYS 56 1HG LYS 56 -3.607 -9.110 -12.464 368 HG3 LYS 56 2HG LYS 56 -3.161 -10.770 -12.868 369 HD2 LYS 56 1HD LYS 56 -5.500 -10.316 -11.081 370 HD3 LYS 56 2HD LYS 56 -5.684 -10.004 -12.809 371 HE2 LYS 56 1HE LYS 56 -4.460 -12.567 -11.880 372 HE3 LYS 56 2HE LYS 56 -6.211 -12.368 -11.837 373 HZ1 LYS 56 1HZ LYS 56 -4.410 -12.488 -14.151 374 HZ2 LYS 56 2HZ LYS 56 -5.832 -11.581 -14.279 375 HZ3 LYS 56 3HZ LYS 56 -5.912 -13.232 -13.917 376 H TRP 57 H TRP 57 -2.238 -7.502 -9.197 377 HA TRP 57 HA TRP 57 -1.235 -8.770 -6.757 378 HB2 TRP 57 1HB TRP 57 0.635 -7.436 -7.583 379 HB3 TRP 57 2HB TRP 57 -0.406 -6.020 -7.709 380 HD1 TRP 57 HD TRP 57 1.444 -8.158 -5.138 381 HE1 TRP 57 1HE TRP 57 1.526 -6.879 -2.906 382 HE3 TRP 57 3HE TRP 57 -1.648 -4.263 -6.322 383 HZ2 TRP 57 2HZ TRP 57 0.424 -4.529 -1.795 384 HZ3 TRP 57 3HZ TRP 57 -2.083 -2.542 -4.618 385 HH2 TRP 57 HH TRP 57 -1.068 -2.675 -2.402 386 H PHE 58 H PHE 58 -2.471 -8.381 -5.012 387 HA PHE 58 HA PHE 58 -4.532 -6.287 -5.242 388 HB2 PHE 58 1HB PHE 58 -4.779 -8.985 -3.893 389 HB3 PHE 58 2HB PHE 58 -6.023 -7.740 -3.922 390 HD1 PHE 58 2HD PHE 58 -7.031 -7.085 -6.127 391 HD2 PHE 58 1HD PHE 58 -4.534 -10.501 -5.663 392 HE1 PHE 58 2HE PHE 58 -7.901 -8.003 -8.237 393 HE2 PHE 58 1HE PHE 58 -5.400 -11.424 -7.773 394 HZ PHE 58 HZ PHE 58 -7.087 -10.176 -9.062 395 H CYS 59 H CYS 59 -4.485 -4.777 -3.718 396 HA CYS 59 HA CYS 59 -2.544 -4.539 -1.781 397 HB2 CYS 59 1HB CYS 59 -3.788 -2.717 -0.893 398 HB3 CYS 59 2HB CYS 59 -4.129 -2.747 -2.620 399 HA PRO 60 HA PRO 60 -3.606 -7.152 1.582 400 HB2 PRO 60 1HB PRO 60 -2.776 -5.664 3.695 401 HB3 PRO 60 2HB PRO 60 -1.657 -6.460 2.582 402 HG2 PRO 60 1HG PRO 60 -2.552 -3.604 2.649 403 HG3 PRO 60 2HG PRO 60 -0.925 -4.261 2.390 404 HD2 PRO 60 1HD PRO 60 -2.492 -3.404 0.354 405 HD3 PRO 60 2HD PRO 60 -1.335 -4.738 0.172 406 H ARG 61 H ARG 61 -5.426 -4.619 0.779 407 HA ARG 61 HA ARG 61 -7.078 -4.708 3.214 408 HB2 ARG 61 1HB ARG 61 -6.925 -2.639 1.017 409 HB3 ARG 61 2HB ARG 61 -8.122 -2.617 2.304 410 HG2 ARG 61 1HG ARG 61 -6.411 -2.332 3.966 411 HG3 ARG 61 2HG ARG 61 -5.147 -2.523 2.749 412 HD2 ARG 61 1HD ARG 61 -5.234 -0.236 2.923 413 HD3 ARG 61 2HD ARG 61 -6.373 -0.511 1.605 414 HE ARG 61 HE ARG 61 -6.997 0.363 4.304 415 HH11 ARG 61 2HH1 ARG 61 -8.167 -0.798 1.238 416 HH12 ARG 61 1HH1 ARG 61 -9.782 -0.222 1.488 417 HH21 ARG 61 2HH2 ARG 61 -9.119 1.127 4.645 418 HH22 ARG 61 1HH2 ARG 61 -10.322 0.874 3.426 419 H CYS 62 H CYS 62 -6.999 -5.316 -0.206 420 HA CYS 62 HA CYS 62 -9.870 -5.803 -0.326 421 HB2 CYS 62 1HB CYS 62 -7.717 -5.963 -2.444 422 HB3 CYS 62 2HB CYS 62 -9.427 -6.268 -2.736 423 H SER 63 H SER 63 -6.826 -7.582 -0.721 424 HA SER 63 HA SER 63 -7.830 -10.080 -1.355 425 HB2 SER 63 1HB SER 63 -5.488 -9.819 -1.479 426 HB3 SER 63 2HB SER 63 -5.379 -9.233 0.181 427 HG SER 63 HG SER 63 -4.717 -11.336 0.216 428 H GLN 64 H GLN 64 -7.246 -8.698 1.865 429 HA GLN 64 HA GLN 64 -8.795 -10.912 3.026 430 HB2 GLN 64 1HB GLN 64 -7.759 -10.126 5.201 431 HB3 GLN 64 2HB GLN 64 -6.652 -10.838 4.035 432 HG2 GLN 64 1HG GLN 64 -5.846 -8.677 3.388 433 HG3 GLN 64 2HG GLN 64 -7.062 -7.880 4.385 434 HE21 GLN 64 1HE2 GLN 64 -3.972 -9.313 4.284 435 HE22 GLN 64 2HE2 GLN 64 -3.567 -9.113 5.952 436 H GLU 65 H GLU 65 -10.737 -9.762 2.253 437 HA GLU 65 HA GLU 65 -11.482 -7.220 3.187 438 HB2 GLU 65 1HB GLU 65 -12.551 -8.666 1.339 439 HB3 GLU 65 2HB GLU 65 -13.452 -9.427 2.643 440 HG2 GLU 65 1HG GLU 65 -14.305 -7.187 3.285 441 HG3 GLU 65 2HG GLU 65 -13.507 -6.524 1.861 442 H SER 66 H SER 66 -13.145 -6.698 4.766 443 HA SER 66 HA SER 66 -12.611 -7.390 7.322 444 HB2 SER 66 1HB SER 66 -14.359 -5.697 6.290 445 HB3 SER 66 2HB SER 66 -15.497 -6.997 6.642 446 HG SER 66 HG SER 66 -13.772 -5.686 8.475 447 H GLY 67 H GLY 67 -14.878 -9.063 5.174 448 HA2 GLY 67 1HA GLY 67 -14.472 -11.551 6.512 449 HA3 GLY 67 2HA GLY 67 -16.028 -10.851 6.931 450 HA PRO 68 HA PRO 68 -16.243 -13.333 2.921 451 HB2 PRO 68 1HB PRO 68 -17.907 -15.276 3.830 452 HB3 PRO 68 2HB PRO 68 -16.146 -15.397 3.925 453 HG2 PRO 68 1HG PRO 68 -18.107 -14.605 6.043 454 HG3 PRO 68 2HG PRO 68 -16.692 -15.667 6.169 455 HD2 PRO 68 1HD PRO 68 -16.655 -13.087 6.991 456 HD3 PRO 68 2HD PRO 68 -15.222 -13.898 6.328 457 H SER 69 H SER 69 -18.184 -13.687 1.632 458 HA SER 69 HA SER 69 -20.394 -11.941 2.492 459 HB2 SER 69 1HB SER 69 -20.856 -11.689 0.034 460 HB3 SER 69 2HB SER 69 -19.302 -11.033 0.547 461 HG SER 69 HG SER 69 -18.272 -12.753 -0.357 462 H SER 70 H SER 70 -22.538 -12.561 2.034 463 HA SER 70 HA SER 70 -23.014 -15.368 2.292 464 HB2 SER 70 1HB SER 70 -24.729 -12.917 2.179 465 HB3 SER 70 2HB SER 70 -25.480 -14.496 1.949 466 HG SER 70 HG SER 70 -24.868 -13.357 4.222 467 H GLY 71 H GLY 71 -24.092 -13.011 -0.169 468 HA2 GLY 71 1HA GLY 71 -24.768 -15.136 -2.004 469 HA3 GLY 71 2HA GLY 71 -24.903 -13.410 -2.307 Start of MODEL 10 1 H1 GLY 1 H GLY 1 20.701 2.521 28.961 2 HA2 GLY 1 1HA GLY 1 21.306 1.926 26.367 3 HA3 GLY 1 2HA GLY 1 20.445 0.502 26.932 4 H SER 2 H SER 2 20.026 3.224 25.248 5 HA SER 2 HA SER 2 17.164 3.173 25.599 6 HB2 SER 2 1HB SER 2 17.598 4.738 27.343 7 HB3 SER 2 2HB SER 2 18.787 5.602 26.368 8 HG SER 2 HG SER 2 16.102 5.924 26.485 9 H SER 3 H SER 3 16.700 2.844 23.512 10 HA SER 3 HA SER 3 17.784 4.758 21.552 11 HB2 SER 3 1HB SER 3 17.808 3.013 19.874 12 HB3 SER 3 2HB SER 3 18.715 2.454 21.280 13 HG SER 3 HG SER 3 16.014 1.807 20.684 14 H GLY 4 H GLY 4 16.289 5.981 20.620 15 HA2 GLY 4 1HA GLY 4 13.744 4.910 19.807 16 HA3 GLY 4 2HA GLY 4 13.619 6.024 21.160 17 H SER 5 H SER 5 13.740 5.731 17.810 18 HA SER 5 HA SER 5 14.010 8.649 17.544 19 HB2 SER 5 1HB SER 5 16.059 7.459 16.725 20 HB3 SER 5 2HB SER 5 15.051 6.641 15.532 21 HG SER 5 HG SER 5 15.653 9.395 15.741 22 H SER 6 H SER 6 12.551 9.642 16.238 23 HA SER 6 HA SER 6 10.786 8.002 14.578 24 HB2 SER 6 1HB SER 6 9.955 9.673 16.922 25 HB3 SER 6 2HB SER 6 8.870 9.526 15.539 26 HG SER 6 HG SER 6 10.011 7.226 16.688 27 H GLY 7 H GLY 7 10.589 8.880 12.630 28 HA2 GLY 7 1HA GLY 7 11.442 11.643 12.230 29 HA3 GLY 7 2HA GLY 7 11.179 10.443 10.973 30 H ASP 8 H ASP 8 10.028 13.247 12.213 31 HA ASP 8 HA ASP 8 7.239 12.662 11.484 32 HB2 ASP 8 1HB ASP 8 7.076 13.610 13.575 33 HB3 ASP 8 2HB ASP 8 8.511 14.606 13.353 34 H MET 9 H MET 9 6.072 14.312 10.263 35 HA MET 9 HA MET 9 7.644 16.218 8.752 36 HB2 MET 9 1HB MET 9 7.950 14.152 7.464 37 HB3 MET 9 2HB MET 9 6.206 13.946 7.368 38 HG2 MET 9 1HG MET 9 5.981 15.893 6.006 39 HG3 MET 9 2HG MET 9 7.675 16.315 6.244 40 HE1 MET 9 1HE MET 9 5.790 16.085 3.901 41 HE2 MET 9 2HE MET 9 6.980 15.706 2.657 42 HE3 MET 9 3HE MET 9 5.701 14.551 3.035 43 HA PRO 10 HA PRO 10 3.787 18.339 9.224 44 HB2 PRO 10 1HB PRO 10 4.395 20.491 7.685 45 HB3 PRO 10 2HB PRO 10 5.042 20.261 9.314 46 HG2 PRO 10 1HG PRO 10 6.327 19.702 6.668 47 HG3 PRO 10 2HG PRO 10 7.025 20.457 8.113 48 HD2 PRO 10 1HD PRO 10 7.461 17.863 7.470 49 HD3 PRO 10 2HD PRO 10 7.387 18.431 9.151 50 H VAL 11 H VAL 11 2.529 16.778 8.051 51 HA VAL 11 HA VAL 11 2.397 16.498 5.292 52 HB VAL 11 HB VAL 11 0.137 15.614 5.605 53 HG11 VAL 11 1HG1 VAL 11 2.408 14.804 7.306 54 HG12 VAL 11 2HG1 VAL 11 0.840 14.108 7.718 55 HG13 VAL 11 3HG1 VAL 11 1.506 13.886 6.100 56 HG21 VAL 11 1HG2 VAL 11 0.387 16.581 8.452 57 HG22 VAL 11 2HG2 VAL 11 -0.647 17.300 7.218 58 HG23 VAL 11 3HG2 VAL 11 -0.953 15.655 7.775 59 H ASP 12 H ASP 12 0.642 17.193 3.833 60 HA ASP 12 HA ASP 12 -0.881 19.529 4.423 61 HB2 ASP 12 1HB ASP 12 0.409 20.770 2.441 62 HB3 ASP 12 2HB ASP 12 0.889 20.947 4.127 63 HA PRO 13 HA PRO 13 -3.212 18.136 0.979 64 HB2 PRO 13 1HB PRO 13 -4.203 20.454 -0.029 65 HB3 PRO 13 2HB PRO 13 -4.760 19.753 1.496 66 HG2 PRO 13 1HG PRO 13 -2.798 21.966 1.034 67 HG3 PRO 13 2HG PRO 13 -4.098 21.856 2.235 68 HD2 PRO 13 1HD PRO 13 -1.506 21.363 2.844 69 HD3 PRO 13 2HD PRO 13 -2.851 20.528 3.647 70 H ASN 14 H ASN 14 -0.346 19.705 0.572 71 HA ASN 14 HA ASN 14 -0.080 20.703 -1.908 72 HB2 ASN 14 1HB ASN 14 1.956 20.586 -0.864 73 HB3 ASN 14 2HB ASN 14 1.673 18.956 -0.258 74 HD21 ASN 14 1HD2 ASN 14 3.259 17.738 -0.994 75 HD22 ASN 14 2HD2 ASN 14 3.802 17.665 -2.633 76 H GLU 15 H GLU 15 -0.013 17.207 -1.212 77 HA GLU 15 HA GLU 15 -0.959 16.739 -3.958 78 HB2 GLU 15 1HB GLU 15 1.329 15.453 -2.515 79 HB3 GLU 15 2HB GLU 15 0.431 14.534 -3.714 80 HG2 GLU 15 1HG GLU 15 1.961 17.085 -4.138 81 HG3 GLU 15 2HG GLU 15 2.338 15.485 -4.773 82 HA PRO 16 HA PRO 16 -4.059 14.153 -2.243 83 HB2 PRO 16 1HB PRO 16 -4.258 12.192 -4.110 84 HB3 PRO 16 2HB PRO 16 -4.836 13.840 -4.383 85 HG2 PRO 16 1HG PRO 16 -2.278 12.559 -5.264 86 HG3 PRO 16 2HG PRO 16 -3.367 13.624 -6.173 87 HD2 PRO 16 1HD PRO 16 -1.077 14.513 -5.032 88 HD3 PRO 16 2HD PRO 16 -2.522 15.532 -5.194 89 H THR 17 H THR 17 -4.312 12.419 -0.906 90 HA THR 17 HA THR 17 -1.968 10.674 -0.571 91 HB THR 17 HB THR 17 -2.971 10.196 1.703 92 HG1 THR 17 1HG THR 17 -4.397 12.176 2.256 93 HG21 THR 17 1HG2 THR 17 -1.749 12.708 0.776 94 HG22 THR 17 2HG2 THR 17 -1.245 11.607 2.058 95 HG23 THR 17 3HG2 THR 17 -2.516 12.791 2.361 96 H TYR 18 H TYR 18 -2.132 8.518 -0.793 97 HA TYR 18 HA TYR 18 -4.815 7.407 -1.300 98 HB2 TYR 18 1HB TYR 18 -2.175 6.495 -2.463 99 HB3 TYR 18 2HB TYR 18 -3.751 5.788 -2.802 100 HD1 TYR 18 1HD TYR 18 -1.666 8.806 -3.253 101 HD2 TYR 18 2HD TYR 18 -5.215 6.760 -4.403 102 HE1 TYR 18 1HE TYR 18 -1.967 10.386 -5.113 103 HE2 TYR 18 2HE TYR 18 -5.525 8.334 -6.267 104 HH TYR 18 HH TYR 18 -3.953 11.236 -6.503 105 H CYS 19 H CYS 19 -1.577 6.092 -0.590 106 HA CYS 19 HA CYS 19 -2.207 3.779 0.638 107 HB2 CYS 19 1HB CYS 19 0.092 4.351 0.377 108 HB3 CYS 19 2HB CYS 19 -0.075 5.773 1.402 109 H LEU 20 H LEU 20 -2.310 3.135 2.924 110 HA LEU 20 HA LEU 20 -4.422 4.374 4.271 111 HB2 LEU 20 1HB LEU 20 -2.309 2.515 5.351 112 HB3 LEU 20 2HB LEU 20 -3.816 2.922 6.169 113 HG LEU 20 HG LEU 20 -4.840 1.972 3.899 114 HD11 LEU 20 1HD1 LEU 20 -3.114 1.257 2.621 115 HD12 LEU 20 2HD1 LEU 20 -3.311 -0.193 3.604 116 HD13 LEU 20 3HD1 LEU 20 -2.055 0.979 4.004 117 HD21 LEU 20 1HD2 LEU 20 -3.902 -0.087 5.830 118 HD22 LEU 20 2HD2 LEU 20 -5.502 0.165 5.132 119 HD23 LEU 20 3HD2 LEU 20 -4.928 1.218 6.426 120 H CYS 21 H CYS 21 -0.924 4.565 4.805 121 HA CYS 21 HA CYS 21 -0.929 6.087 7.136 122 HB2 CYS 21 1HB CYS 21 1.344 6.626 6.643 123 HB3 CYS 21 2HB CYS 21 1.064 4.998 6.034 124 H HIS 22 H HIS 22 -2.062 6.930 4.086 125 HA HIS 22 HA HIS 22 -2.879 8.859 3.200 126 HB2 HIS 22 1HB HIS 22 -2.682 9.588 6.104 127 HB3 HIS 22 2HB HIS 22 -3.139 10.806 4.917 128 HD1 HIS 22 1HD HIS 22 -5.139 9.570 3.188 129 HD2 HIS 22 2HD HIS 22 -4.928 8.621 7.227 130 HE1 HIS 22 1HE HIS 22 -7.409 8.668 3.787 131 HE2 HIS 22 2HE HIS 22 -7.283 8.181 6.255 132 H GLN 23 H GLN 23 -0.386 8.479 2.482 133 HA GLN 23 HA GLN 23 1.016 11.026 2.949 134 HB2 GLN 23 1HB GLN 23 1.999 8.256 2.362 135 HB3 GLN 23 2HB GLN 23 2.988 9.646 1.935 136 HG2 GLN 23 1HG GLN 23 1.901 9.483 4.694 137 HG3 GLN 23 2HG GLN 23 3.241 8.427 4.250 138 HE21 GLN 23 1HE2 GLN 23 4.834 9.857 2.728 139 HE22 GLN 23 2HE2 GLN 23 5.393 11.281 3.529 140 H VAL 24 H VAL 24 2.330 11.793 1.064 141 HA VAL 24 HA VAL 24 0.636 11.896 -1.269 142 HB VAL 24 HB VAL 24 2.142 13.572 -2.113 143 HG11 VAL 24 1HG1 VAL 24 1.796 15.239 -0.521 144 HG12 VAL 24 2HG1 VAL 24 0.555 14.042 -0.143 145 HG13 VAL 24 3HG1 VAL 24 2.024 14.128 0.830 146 HG21 VAL 24 1HG2 VAL 24 4.190 14.186 -0.807 147 HG22 VAL 24 2HG2 VAL 24 3.971 12.700 0.117 148 HG23 VAL 24 3HG2 VAL 24 4.275 12.622 -1.618 149 H SER 25 H SER 25 1.481 11.575 -3.455 150 HA SER 25 HA SER 25 2.448 9.027 -3.897 151 HB2 SER 25 1HB SER 25 1.315 10.544 -5.574 152 HB3 SER 25 2HB SER 25 2.871 11.342 -5.794 153 HG SER 25 HG SER 25 3.568 9.686 -6.904 154 H TYR 26 H TYR 26 4.291 8.354 -2.951 155 HA TYR 26 HA TYR 26 6.782 9.527 -3.898 156 HB2 TYR 26 1HB TYR 26 7.679 10.069 -1.843 157 HB3 TYR 26 2HB TYR 26 5.990 10.488 -1.577 158 HD1 TYR 26 1HD TYR 26 8.525 7.843 -0.995 159 HD2 TYR 26 2HD TYR 26 4.735 9.429 0.114 160 HE1 TYR 26 1HE TYR 26 8.462 6.325 0.939 161 HE2 TYR 26 2HE TYR 26 4.663 7.916 2.052 162 HH TYR 26 HH TYR 26 6.100 6.626 3.436 163 H GLY 27 H GLY 27 8.688 8.153 -3.204 164 HA2 GLY 27 1HA GLY 27 9.708 6.101 -3.428 165 HA3 GLY 27 2HA GLY 27 8.581 5.619 -2.167 166 H GLU 28 H GLU 28 9.018 3.550 -3.474 167 HA GLU 28 HA GLU 28 7.780 3.240 -6.007 168 HB2 GLU 28 1HB GLU 28 8.601 1.233 -3.907 169 HB3 GLU 28 2HB GLU 28 7.955 0.778 -5.477 170 HG2 GLU 28 1HG GLU 28 9.839 1.406 -6.596 171 HG3 GLU 28 2HG GLU 28 10.277 2.625 -5.400 172 H MET 29 H MET 29 5.740 2.736 -6.566 173 HA MET 29 HA MET 29 3.859 1.910 -4.476 174 HB2 MET 29 1HB MET 29 3.458 4.219 -6.382 175 HB3 MET 29 2HB MET 29 2.168 3.501 -5.426 176 HG2 MET 29 1HG MET 29 3.524 4.048 -3.383 177 HG3 MET 29 2HG MET 29 4.590 4.974 -4.437 178 HE1 MET 29 1HE MET 29 1.285 4.659 -2.634 179 HE2 MET 29 2HE MET 29 0.309 6.021 -3.184 180 HE3 MET 29 3HE MET 29 0.554 4.629 -4.239 181 H ILE 30 H ILE 30 1.728 1.215 -5.461 182 HA ILE 30 HA ILE 30 2.040 0.153 -8.176 183 HB ILE 30 HB ILE 30 1.475 -2.046 -7.620 184 HG12 ILE 30 1HG1 ILE 30 -0.364 -1.451 -6.056 185 HG13 ILE 30 2HG1 ILE 30 0.637 -2.772 -5.463 186 HG21 ILE 30 1HG2 ILE 30 3.078 -2.676 -5.787 187 HG22 ILE 30 2HG2 ILE 30 3.756 -1.683 -7.076 188 HG23 ILE 30 3HG2 ILE 30 3.339 -0.952 -5.526 189 HD11 ILE 30 1HD1 ILE 30 0.256 -1.407 -3.608 190 HD12 ILE 30 2HD1 ILE 30 1.890 -1.003 -4.135 191 HD13 ILE 30 3HD1 ILE 30 0.547 0.071 -4.525 192 H GLY 31 H GLY 31 -0.078 -0.820 -8.963 193 HA2 GLY 31 1HA GLY 31 -2.316 0.819 -7.940 194 HA3 GLY 31 2HA GLY 31 -2.079 0.462 -9.644 195 H CYS 32 H CYS 32 -3.410 -0.604 -6.673 196 HA CYS 32 HA CYS 32 -3.723 -3.278 -6.826 197 HB2 CYS 32 1HB CYS 32 -4.753 -1.748 -5.120 198 HB3 CYS 32 2HB CYS 32 -6.036 -1.412 -6.277 199 H ASP 33 H ASP 33 -4.760 -4.765 -8.042 200 HA ASP 33 HA ASP 33 -5.536 -4.126 -10.671 201 HB2 ASP 33 1HB ASP 33 -4.681 -6.337 -10.055 202 HB3 ASP 33 2HB ASP 33 -6.105 -6.623 -9.059 203 H ASN 34 H ASN 34 -7.416 -4.784 -7.749 204 HA ASN 34 HA ASN 34 -9.960 -4.921 -8.817 205 HB2 ASN 34 1HB ASN 34 -9.361 -5.313 -6.425 206 HB3 ASN 34 2HB ASN 34 -9.217 -3.570 -6.214 207 HD21 ASN 34 1HD2 ASN 34 -10.848 -3.772 -4.599 208 HD22 ASN 34 2HD2 ASN 34 -12.513 -3.873 -5.050 209 HA PRO 35 HA PRO 35 -10.325 -0.847 -10.600 210 HB2 PRO 35 1HB PRO 35 -12.839 -1.203 -11.561 211 HB3 PRO 35 2HB PRO 35 -11.406 -1.875 -12.348 212 HG2 PRO 35 1HG PRO 35 -13.366 -3.211 -10.521 213 HG3 PRO 35 2HG PRO 35 -12.637 -3.820 -12.019 214 HD2 PRO 35 1HD PRO 35 -11.750 -4.548 -9.567 215 HD3 PRO 35 2HD PRO 35 -10.672 -4.413 -10.970 216 H ASP 36 H ASP 36 -12.533 -2.333 -8.325 217 HA ASP 36 HA ASP 36 -14.057 0.035 -7.815 218 HB2 ASP 36 1HB ASP 36 -13.779 -2.441 -6.098 219 HB3 ASP 36 2HB ASP 36 -15.048 -1.225 -5.986 220 H CYS 37 H CYS 37 -11.329 -1.579 -6.248 221 HA CYS 37 HA CYS 37 -11.038 -0.355 -3.883 222 HB2 CYS 37 1HB CYS 37 -9.389 -1.881 -5.194 223 HB3 CYS 37 2HB CYS 37 -8.669 -0.365 -5.729 224 H SER 38 H SER 38 -11.196 1.663 -3.192 225 HA SER 38 HA SER 38 -11.179 3.895 -4.953 226 HB2 SER 38 1HB SER 38 -11.403 5.240 -2.878 227 HB3 SER 38 2HB SER 38 -12.557 3.907 -2.943 228 HG SER 38 HG SER 38 -11.658 3.880 -0.923 229 H ILE 39 H ILE 39 -8.909 2.729 -2.486 230 HA ILE 39 HA ILE 39 -7.020 4.824 -2.910 231 HB ILE 39 HB ILE 39 -6.687 2.132 -1.583 232 HG12 ILE 39 1HG1 ILE 39 -6.766 4.764 -0.158 233 HG13 ILE 39 2HG1 ILE 39 -8.278 4.024 -0.676 234 HG21 ILE 39 1HG2 ILE 39 -4.500 2.533 -1.664 235 HG22 ILE 39 2HG2 ILE 39 -4.752 4.156 -2.303 236 HG23 ILE 39 3HG2 ILE 39 -4.790 3.878 -0.562 237 HD11 ILE 39 1HD1 ILE 39 -6.357 2.346 0.835 238 HD12 ILE 39 2HD1 ILE 39 -7.257 3.586 1.710 239 HD13 ILE 39 3HD1 ILE 39 -8.121 2.328 0.826 240 H GLU 40 H GLU 40 -6.999 1.360 -3.764 241 HA GLU 40 HA GLU 40 -5.560 0.211 -5.160 242 HB2 GLU 40 1HB GLU 40 -5.777 1.237 -7.549 243 HB3 GLU 40 2HB GLU 40 -7.197 0.575 -6.753 244 HG2 GLU 40 1HG GLU 40 -7.983 2.747 -6.176 245 HG3 GLU 40 2HG GLU 40 -6.476 3.492 -6.704 246 H TRP 41 H TRP 41 -4.115 2.090 -3.603 247 HA TRP 41 HA TRP 41 -1.731 2.266 -5.167 248 HB2 TRP 41 1HB TRP 41 -3.314 4.749 -4.591 249 HB3 TRP 41 2HB TRP 41 -1.556 4.824 -4.665 250 HD1 TRP 41 HD TRP 41 -4.607 4.715 -6.846 251 HE1 TRP 41 1HE TRP 41 -3.907 4.761 -9.322 252 HE3 TRP 41 3HE TRP 41 0.414 3.939 -6.282 253 HZ2 TRP 41 2HZ TRP 41 -1.539 4.502 -10.836 254 HZ3 TRP 41 3HZ TRP 41 1.827 3.851 -8.295 255 HH2 TRP 41 HH TRP 41 0.869 4.126 -10.524 256 H PHE 42 H PHE 42 -0.259 1.602 -3.761 257 HA PHE 42 HA PHE 42 -0.236 2.778 -1.074 258 HB2 PHE 42 1HB PHE 42 0.227 -0.164 -1.589 259 HB3 PHE 42 2HB PHE 42 0.163 0.646 -0.026 260 HD1 PHE 42 1HD PHE 42 -1.891 -0.161 -3.011 261 HD2 PHE 42 2HD PHE 42 -1.844 0.813 1.133 262 HE1 PHE 42 1HE PHE 42 -4.304 -0.622 -2.878 263 HE2 PHE 42 2HE PHE 42 -4.257 0.352 1.272 264 HZ PHE 42 HZ PHE 42 -5.490 -0.367 -0.735 265 H HIS 43 H HIS 43 1.908 1.944 0.063 266 HA HIS 43 HA HIS 43 4.074 2.481 -1.853 267 HB2 HIS 43 1HB HIS 43 4.079 2.834 1.152 268 HB3 HIS 43 2HB HIS 43 5.366 3.304 0.046 269 HD2 HIS 43 2HD HIS 43 4.646 5.513 -1.685 270 HE1 HIS 43 1HE HIS 43 1.534 6.816 0.888 271 HE2 HIS 43 2HE HIS 43 2.937 7.373 -1.129 272 H PHE 44 H PHE 44 5.705 1.066 -2.129 273 HA PHE 44 HA PHE 44 5.476 -1.602 -1.554 274 HB2 PHE 44 1HB PHE 44 7.836 0.137 -2.176 275 HB3 PHE 44 2HB PHE 44 8.091 -1.557 -1.769 276 HD1 PHE 44 2HD PHE 44 5.608 0.298 -3.854 277 HD2 PHE 44 1HD PHE 44 8.477 -2.838 -3.624 278 HE1 PHE 44 2HE PHE 44 5.103 -0.330 -6.178 279 HE2 PHE 44 1HE PHE 44 7.978 -3.470 -5.948 280 HZ PHE 44 HZ PHE 44 6.288 -2.216 -7.228 281 H ALA 45 H ALA 45 7.137 0.872 0.354 282 HA ALA 45 HA ALA 45 8.189 -0.882 2.306 283 HB1 ALA 45 1HB ALA 45 8.207 1.309 3.700 284 HB2 ALA 45 2HB ALA 45 9.234 1.179 2.271 285 HB3 ALA 45 3HB ALA 45 7.712 2.066 2.185 286 H CYS 46 H CYS 46 5.237 1.094 2.222 287 HA CYS 46 HA CYS 46 4.307 0.468 4.788 288 HB2 CYS 46 1HB CYS 46 3.071 1.493 2.279 289 HB3 CYS 46 2HB CYS 46 1.992 0.892 3.533 290 H VAL 47 H VAL 47 3.539 -1.037 1.656 291 HA VAL 47 HA VAL 47 1.913 -3.080 2.823 292 HB VAL 47 HB VAL 47 1.954 -4.115 0.586 293 HG11 VAL 47 1HG1 VAL 47 0.377 -2.286 1.145 294 HG12 VAL 47 2HG1 VAL 47 1.515 -1.135 0.442 295 HG13 VAL 47 3HG1 VAL 47 0.768 -2.370 -0.572 296 HG21 VAL 47 1HG2 VAL 47 3.494 -1.835 -0.528 297 HG22 VAL 47 2HG2 VAL 47 4.396 -3.132 0.255 298 HG23 VAL 47 3HG2 VAL 47 3.342 -3.492 -1.113 299 H GLY 48 H GLY 48 5.292 -2.757 2.002 300 HA2 GLY 48 1HA GLY 48 7.007 -4.058 2.961 301 HA3 GLY 48 2HA GLY 48 5.821 -5.294 3.351 302 H LEU 49 H LEU 49 6.167 -3.816 0.185 303 HA LEU 49 HA LEU 49 6.565 -6.431 -0.988 304 HB2 LEU 49 1HB LEU 49 5.913 -3.713 -1.974 305 HB3 LEU 49 2HB LEU 49 6.713 -4.809 -3.098 306 HG LEU 49 HG LEU 49 4.125 -5.423 -1.676 307 HD11 LEU 49 1HD1 LEU 49 3.211 -5.109 -4.047 308 HD12 LEU 49 2HD1 LEU 49 4.690 -4.199 -4.354 309 HD13 LEU 49 3HD1 LEU 49 3.570 -3.662 -3.103 310 HD21 LEU 49 1HD2 LEU 49 4.679 -6.827 -4.139 311 HD22 LEU 49 2HD2 LEU 49 4.268 -7.464 -2.546 312 HD23 LEU 49 3HD2 LEU 49 5.947 -7.097 -2.944 313 H THR 50 H THR 50 8.495 -7.290 -1.319 314 HA THR 50 HA THR 50 10.906 -5.806 -0.962 315 HB THR 50 HB THR 50 10.573 -8.597 -2.078 316 HG1 THR 50 1HG THR 50 11.440 -8.411 0.492 317 HG21 THR 50 1HG2 THR 50 12.856 -6.933 -1.785 318 HG22 THR 50 2HG2 THR 50 12.789 -8.621 -2.292 319 HG23 THR 50 3HG2 THR 50 12.966 -8.219 -0.584 320 H THR 51 H THR 51 9.257 -7.209 -3.768 321 HA THR 51 HA THR 51 10.750 -5.378 -5.493 322 HB THR 51 HB THR 51 11.016 -7.246 -7.186 323 HG1 THR 51 1HG THR 51 11.164 -9.371 -6.034 324 HG21 THR 51 1HG2 THR 51 12.867 -6.323 -5.778 325 HG22 THR 51 2HG2 THR 51 13.100 -8.002 -6.265 326 HG23 THR 51 3HG2 THR 51 12.569 -7.625 -4.626 327 H LYS 52 H LYS 52 9.728 -4.927 -7.496 328 HA LYS 52 HA LYS 52 7.029 -4.520 -7.466 329 HB2 LYS 52 1HB LYS 52 8.882 -3.777 -9.167 330 HB3 LYS 52 2HB LYS 52 8.347 -5.187 -10.073 331 HG2 LYS 52 1HG LYS 52 6.281 -4.287 -10.521 332 HG3 LYS 52 2HG LYS 52 6.328 -3.210 -9.124 333 HD2 LYS 52 1HD LYS 52 7.997 -1.824 -10.217 334 HD3 LYS 52 2HD LYS 52 8.041 -2.929 -11.594 335 HE2 LYS 52 1HE LYS 52 6.615 -1.324 -12.395 336 HE3 LYS 52 2HE LYS 52 5.461 -2.434 -11.657 337 HZ1 LYS 52 1HZ LYS 52 4.992 -0.145 -11.057 338 HZ2 LYS 52 2HZ LYS 52 6.539 0.029 -10.395 339 HZ3 LYS 52 3HZ LYS 52 5.431 -1.036 -9.687 340 HA PRO 53 HA PRO 53 5.405 -8.658 -7.756 341 HB2 PRO 53 1HB PRO 53 2.790 -7.928 -7.775 342 HB3 PRO 53 2HB PRO 53 3.770 -7.951 -6.304 343 HG2 PRO 53 1HG PRO 53 3.033 -5.636 -8.054 344 HG3 PRO 53 2HG PRO 53 3.060 -5.737 -6.284 345 HD2 PRO 53 1HD PRO 53 5.049 -4.575 -7.707 346 HD3 PRO 53 2HD PRO 53 5.340 -5.422 -6.174 347 H ARG 54 H ARG 54 4.610 -9.955 -9.372 348 HA ARG 54 HA ARG 54 4.236 -8.660 -11.979 349 HB2 ARG 54 1HB ARG 54 5.252 -11.322 -11.101 350 HB3 ARG 54 2HB ARG 54 4.464 -11.214 -12.669 351 HG2 ARG 54 1HG ARG 54 6.117 -9.163 -12.944 352 HG3 ARG 54 2HG ARG 54 7.046 -10.084 -11.758 353 HD2 ARG 54 1HD ARG 54 6.536 -12.083 -13.377 354 HD3 ARG 54 2HD ARG 54 6.294 -10.795 -14.556 355 HE ARG 54 HE ARG 54 8.559 -10.357 -14.516 356 HH11 ARG 54 2HH1 ARG 54 7.723 -12.597 -11.985 357 HH12 ARG 54 1HH1 ARG 54 9.368 -13.004 -11.623 358 HH21 ARG 54 2HH2 ARG 54 10.728 -10.884 -14.048 359 HH22 ARG 54 1HH2 ARG 54 11.076 -12.028 -12.796 360 H GLY 55 H GLY 55 2.755 -10.032 -13.485 361 HA2 GLY 55 1HA GLY 55 0.604 -10.647 -13.994 362 HA3 GLY 55 2HA GLY 55 0.639 -11.553 -12.488 363 H LYS 56 H LYS 56 -0.692 -10.938 -10.911 364 HA LYS 56 HA LYS 56 -1.810 -8.215 -11.017 365 HB2 LYS 56 1HB LYS 56 -3.972 -9.120 -10.287 366 HB3 LYS 56 2HB LYS 56 -3.480 -9.800 -11.833 367 HG2 LYS 56 1HG LYS 56 -2.687 -11.819 -10.650 368 HG3 LYS 56 2HG LYS 56 -3.302 -11.138 -9.142 369 HD2 LYS 56 1HD LYS 56 -5.102 -12.410 -9.737 370 HD3 LYS 56 2HD LYS 56 -5.518 -10.915 -10.579 371 HE2 LYS 56 1HE LYS 56 -3.854 -12.937 -11.997 372 HE3 LYS 56 2HE LYS 56 -5.578 -13.252 -11.804 373 HZ1 LYS 56 1HZ LYS 56 -5.851 -11.999 -13.600 374 HZ2 LYS 56 2HZ LYS 56 -4.257 -11.435 -13.565 375 HZ3 LYS 56 3HZ LYS 56 -5.448 -10.658 -12.650 376 H TRP 57 H TRP 57 -1.708 -7.099 -9.171 377 HA TRP 57 HA TRP 57 -1.041 -8.576 -6.708 378 HB2 TRP 57 1HB TRP 57 0.843 -7.226 -7.451 379 HB3 TRP 57 2HB TRP 57 -0.185 -5.799 -7.552 380 HD1 TRP 57 HD TRP 57 1.730 -7.938 -5.064 381 HE1 TRP 57 1HE TRP 57 1.744 -6.756 -2.778 382 HE3 TRP 57 3HE TRP 57 -1.596 -4.188 -6.070 383 HZ2 TRP 57 2HZ TRP 57 0.509 -4.528 -1.562 384 HZ3 TRP 57 3HZ TRP 57 -2.125 -2.573 -4.290 385 HH2 TRP 57 HH TRP 57 -1.094 -2.742 -2.084 386 H PHE 58 H PHE 58 -2.633 -8.569 -5.278 387 HA PHE 58 HA PHE 58 -4.582 -6.375 -5.326 388 HB2 PHE 58 1HB PHE 58 -4.780 -9.100 -4.026 389 HB3 PHE 58 2HB PHE 58 -6.059 -7.891 -4.083 390 HD1 PHE 58 2HD PHE 58 -7.002 -7.236 -6.325 391 HD2 PHE 58 1HD PHE 58 -4.460 -10.607 -5.785 392 HE1 PHE 58 2HE PHE 58 -7.783 -8.164 -8.465 393 HE2 PHE 58 1HE PHE 58 -5.236 -11.540 -7.925 394 HZ PHE 58 HZ PHE 58 -6.900 -10.318 -9.268 395 H CYS 59 H CYS 59 -4.493 -4.867 -3.809 396 HA CYS 59 HA CYS 59 -2.611 -4.667 -1.823 397 HB2 CYS 59 1HB CYS 59 -3.888 -2.868 -0.915 398 HB3 CYS 59 2HB CYS 59 -4.158 -2.852 -2.655 399 HA PRO 60 HA PRO 60 -3.738 -7.345 1.467 400 HB2 PRO 60 1HB PRO 60 -2.911 -5.910 3.618 401 HB3 PRO 60 2HB PRO 60 -1.790 -6.698 2.501 402 HG2 PRO 60 1HG PRO 60 -2.650 -3.833 2.615 403 HG3 PRO 60 2HG PRO 60 -1.029 -4.505 2.359 404 HD2 PRO 60 1HD PRO 60 -2.564 -3.588 0.326 405 HD3 PRO 60 2HD PRO 60 -1.422 -4.933 0.129 406 H ARG 61 H ARG 61 -5.466 -4.686 0.746 407 HA ARG 61 HA ARG 61 -7.153 -4.817 3.150 408 HB2 ARG 61 1HB ARG 61 -6.950 -2.736 0.971 409 HB3 ARG 61 2HB ARG 61 -8.176 -2.711 2.231 410 HG2 ARG 61 1HG ARG 61 -6.520 -2.427 3.931 411 HG3 ARG 61 2HG ARG 61 -5.216 -2.674 2.767 412 HD2 ARG 61 1HD ARG 61 -5.431 -0.321 3.211 413 HD3 ARG 61 2HD ARG 61 -5.971 -0.644 1.564 414 HE ARG 61 HE ARG 61 -7.608 0.210 3.807 415 HH11 ARG 61 2HH1 ARG 61 -7.473 -0.991 0.542 416 HH12 ARG 61 1HH1 ARG 61 -9.078 -0.474 0.146 417 HH21 ARG 61 2HH2 ARG 61 -9.723 0.897 3.298 418 HH22 ARG 61 1HH2 ARG 61 -10.357 0.601 1.714 419 H CYS 62 H CYS 62 -7.079 -5.389 -0.278 420 HA CYS 62 HA CYS 62 -9.951 -5.820 -0.429 421 HB2 CYS 62 1HB CYS 62 -7.742 -6.009 -2.481 422 HB3 CYS 62 2HB CYS 62 -9.422 -6.405 -2.830 423 H SER 63 H SER 63 -6.957 -7.700 -0.708 424 HA SER 63 HA SER 63 -8.114 -10.182 -1.275 425 HB2 SER 63 1HB SER 63 -5.780 -10.026 -1.581 426 HB3 SER 63 2HB SER 63 -5.523 -9.390 0.044 427 HG SER 63 HG SER 63 -6.407 -12.016 -0.580 428 H GLN 64 H GLN 64 -7.390 -8.624 1.817 429 HA GLN 64 HA GLN 64 -8.523 -10.873 3.281 430 HB2 GLN 64 1HB GLN 64 -6.433 -9.683 4.034 431 HB3 GLN 64 2HB GLN 64 -7.438 -8.286 4.396 432 HG2 GLN 64 1HG GLN 64 -8.793 -10.074 5.790 433 HG3 GLN 64 2HG GLN 64 -7.231 -10.892 5.793 434 HE21 GLN 64 1HE2 GLN 64 -9.133 -8.771 7.427 435 HE22 GLN 64 2HE2 GLN 64 -7.926 -7.947 8.348 436 H GLU 65 H GLU 65 -10.335 -9.508 1.617 437 HA GLU 65 HA GLU 65 -11.876 -7.680 3.231 438 HB2 GLU 65 1HB GLU 65 -13.383 -7.563 1.350 439 HB3 GLU 65 2HB GLU 65 -11.729 -7.467 0.762 440 HG2 GLU 65 1HG GLU 65 -11.800 -9.570 -0.184 441 HG3 GLU 65 2HG GLU 65 -13.129 -10.101 0.845 442 H SER 66 H SER 66 -11.542 -10.093 4.558 443 HA SER 66 HA SER 66 -13.222 -12.153 4.398 444 HB2 SER 66 1HB SER 66 -12.772 -10.500 6.894 445 HB3 SER 66 2HB SER 66 -13.435 -12.134 6.879 446 HG SER 66 HG SER 66 -11.473 -12.844 6.770 447 H GLY 67 H GLY 67 -15.362 -12.682 5.037 448 HA2 GLY 67 1HA GLY 67 -17.318 -10.826 4.201 449 HA3 GLY 67 2HA GLY 67 -17.634 -12.359 5.002 450 HA PRO 68 HA PRO 68 -19.237 -9.751 8.223 451 HB2 PRO 68 1HB PRO 68 -19.943 -11.767 9.898 452 HB3 PRO 68 2HB PRO 68 -20.886 -11.331 8.468 453 HG2 PRO 68 1HG PRO 68 -18.898 -13.541 8.825 454 HG3 PRO 68 2HG PRO 68 -20.475 -13.574 8.014 455 HD2 PRO 68 1HD PRO 68 -18.142 -13.375 6.654 456 HD3 PRO 68 2HD PRO 68 -19.646 -12.621 6.087 457 H SER 69 H SER 69 -16.368 -11.309 8.132 458 HA SER 69 HA SER 69 -15.660 -11.557 10.860 459 HB2 SER 69 1HB SER 69 -14.430 -12.638 8.978 460 HB3 SER 69 2HB SER 69 -13.820 -11.052 8.509 461 HG SER 69 HG SER 69 -12.688 -10.934 10.410 462 H SER 70 H SER 70 -16.088 -9.779 12.082 463 HA SER 70 HA SER 70 -15.748 -7.115 11.374 464 HB2 SER 70 1HB SER 70 -16.954 -7.998 13.409 465 HB3 SER 70 2HB SER 70 -15.377 -8.215 14.166 466 HG SER 70 HG SER 70 -15.731 -6.218 14.769 467 H GLY 71 H GLY 71 -14.119 -5.590 11.758 468 HA2 GLY 71 1HA GLY 71 -11.427 -6.748 11.785 469 HA3 GLY 71 2HA GLY 71 -11.851 -5.131 11.243 Start of MODEL 11 1 H1 GLY 1 H GLY 1 23.348 -1.033 -13.605 2 HA2 GLY 1 1HA GLY 1 21.461 -0.805 -15.870 3 HA3 GLY 1 2HA GLY 1 20.965 -1.320 -14.265 4 H SER 2 H SER 2 19.589 0.268 -13.684 5 HA SER 2 HA SER 2 20.737 2.891 -13.184 6 HB2 SER 2 1HB SER 2 18.449 2.399 -15.072 7 HB3 SER 2 2HB SER 2 18.571 3.919 -14.186 8 HG SER 2 HG SER 2 20.933 3.603 -15.134 9 H SER 3 H SER 3 19.790 3.970 -11.485 10 HA SER 3 HA SER 3 17.448 2.724 -10.226 11 HB2 SER 3 1HB SER 3 19.528 1.903 -9.117 12 HB3 SER 3 2HB SER 3 19.930 3.572 -8.713 13 HG SER 3 HG SER 3 18.667 2.114 -7.155 14 H GLY 4 H GLY 4 15.938 4.255 -10.260 15 HA2 GLY 4 1HA GLY 4 16.167 6.934 -10.661 16 HA3 GLY 4 2HA GLY 4 14.881 6.228 -9.695 17 H SER 5 H SER 5 16.629 8.745 -9.535 18 HA SER 5 HA SER 5 17.913 8.391 -6.951 19 HB2 SER 5 1HB SER 5 17.673 10.821 -8.741 20 HB3 SER 5 2HB SER 5 18.597 10.762 -7.241 21 HG SER 5 HG SER 5 19.099 8.824 -9.194 22 H SER 6 H SER 6 16.349 8.130 -5.422 23 HA SER 6 HA SER 6 14.400 10.324 -5.138 24 HB2 SER 6 1HB SER 6 14.156 7.378 -4.595 25 HB3 SER 6 2HB SER 6 13.126 8.531 -3.746 26 HG SER 6 HG SER 6 12.395 9.267 -5.773 27 H GLY 7 H GLY 7 15.242 11.679 -3.670 28 HA2 GLY 7 1HA GLY 7 16.365 10.505 -1.203 29 HA3 GLY 7 2HA GLY 7 16.850 12.058 -1.867 30 H ASP 8 H ASP 8 16.007 13.788 -0.928 31 HA ASP 8 HA ASP 8 13.657 13.439 0.788 32 HB2 ASP 8 1HB ASP 8 15.880 15.462 0.707 33 HB3 ASP 8 2HB ASP 8 14.383 15.799 1.572 34 H MET 9 H MET 9 11.740 14.093 0.096 35 HA MET 9 HA MET 9 11.633 16.135 -2.024 36 HB2 MET 9 1HB MET 9 9.685 13.919 -1.370 37 HB3 MET 9 2HB MET 9 9.410 15.160 -2.586 38 HG2 MET 9 1HG MET 9 11.240 14.371 -3.903 39 HG3 MET 9 2HG MET 9 11.731 13.251 -2.634 40 HE1 MET 9 1HE MET 9 11.543 12.364 -5.473 41 HE2 MET 9 2HE MET 9 10.094 11.500 -5.987 42 HE3 MET 9 3HE MET 9 10.135 13.263 -6.041 43 HA PRO 10 HA PRO 10 9.488 18.870 0.661 44 HB2 PRO 10 1HB PRO 10 7.962 20.224 -1.130 45 HB3 PRO 10 2HB PRO 10 9.709 20.453 -0.989 46 HG2 PRO 10 1HG PRO 10 8.166 18.806 -2.957 47 HG3 PRO 10 2HG PRO 10 9.555 19.873 -3.236 48 HD2 PRO 10 1HD PRO 10 9.797 17.182 -3.060 49 HD3 PRO 10 2HD PRO 10 11.072 18.292 -2.521 50 H VAL 11 H VAL 11 8.181 16.165 -0.317 51 HA VAL 11 HA VAL 11 5.579 16.070 -0.690 52 HB VAL 11 HB VAL 11 5.333 14.270 0.986 53 HG11 VAL 11 1HG1 VAL 11 7.551 13.031 0.150 54 HG12 VAL 11 2HG1 VAL 11 6.156 13.309 -0.895 55 HG13 VAL 11 3HG1 VAL 11 7.546 14.391 -0.972 56 HG21 VAL 11 1HG2 VAL 11 7.167 13.654 2.429 57 HG22 VAL 11 2HG2 VAL 11 8.156 14.967 1.791 58 HG23 VAL 11 3HG2 VAL 11 6.718 15.330 2.744 59 H ASP 12 H ASP 12 3.687 16.734 0.162 60 HA ASP 12 HA ASP 12 3.659 17.868 2.862 61 HB2 ASP 12 1HB ASP 12 3.152 19.320 0.321 62 HB3 ASP 12 2HB ASP 12 2.060 19.660 1.661 63 HA PRO 13 HA PRO 13 -0.252 15.936 3.311 64 HB2 PRO 13 1HB PRO 13 -1.662 17.753 4.754 65 HB3 PRO 13 2HB PRO 13 -0.340 16.801 5.438 66 HG2 PRO 13 1HG PRO 13 -0.321 19.621 4.433 67 HG3 PRO 13 2HG PRO 13 0.429 18.948 5.892 68 HD2 PRO 13 1HD PRO 13 1.832 19.451 3.632 69 HD3 PRO 13 2HD PRO 13 2.238 18.117 4.731 70 H ASN 14 H ASN 14 -0.104 19.044 1.790 71 HA ASN 14 HA ASN 14 -2.747 19.511 1.109 72 HB2 ASN 14 1HB ASN 14 -0.128 20.187 -0.164 73 HB3 ASN 14 2HB ASN 14 -1.609 20.497 -1.064 74 HD21 ASN 14 1HD2 ASN 14 -0.308 20.951 2.207 75 HD22 ASN 14 2HD2 ASN 14 -0.930 22.549 2.415 76 H GLU 15 H GLU 15 -0.311 17.778 -0.840 77 HA GLU 15 HA GLU 15 -1.896 17.001 -2.947 78 HB2 GLU 15 1HB GLU 15 0.426 15.641 -1.602 79 HB3 GLU 15 2HB GLU 15 -0.363 14.929 -3.003 80 HG2 GLU 15 1HG GLU 15 0.707 17.729 -3.034 81 HG3 GLU 15 2HG GLU 15 1.715 16.333 -3.410 82 HA PRO 16 HA PRO 16 -4.834 14.078 -1.508 83 HB2 PRO 16 1HB PRO 16 -4.968 12.361 -3.607 84 HB3 PRO 16 2HB PRO 16 -5.638 13.996 -3.658 85 HG2 PRO 16 1HG PRO 16 -3.035 12.981 -4.733 86 HG3 PRO 16 2HG PRO 16 -4.198 14.091 -5.482 87 HD2 PRO 16 1HD PRO 16 -1.936 14.953 -4.270 88 HD3 PRO 16 2HD PRO 16 -3.435 15.903 -4.279 89 H THR 17 H THR 17 -4.792 12.369 -0.180 90 HA THR 17 HA THR 17 -2.402 10.688 -0.151 91 HB THR 17 HB THR 17 -3.270 9.883 2.042 92 HG1 THR 17 1HG THR 17 -5.512 11.002 1.184 93 HG21 THR 17 1HG2 THR 17 -2.601 12.708 1.447 94 HG22 THR 17 2HG2 THR 17 -1.775 11.540 2.479 95 HG23 THR 17 3HG2 THR 17 -3.224 12.360 3.059 96 H TYR 18 H TYR 18 -2.475 8.432 -0.188 97 HA TYR 18 HA TYR 18 -5.029 7.245 -1.046 98 HB2 TYR 18 1HB TYR 18 -2.302 6.590 -2.180 99 HB3 TYR 18 2HB TYR 18 -3.826 5.847 -2.650 100 HD1 TYR 18 2HD TYR 18 -5.673 7.920 -3.113 101 HD2 TYR 18 1HD TYR 18 -1.479 7.965 -3.831 102 HE1 TYR 18 2HE TYR 18 -5.991 9.651 -4.831 103 HE2 TYR 18 1HE TYR 18 -1.786 9.697 -5.550 104 HH TYR 18 HH TYR 18 -3.390 10.673 -6.915 105 H CYS 19 H CYS 19 -1.732 6.094 -0.319 106 HA CYS 19 HA CYS 19 -2.263 3.643 0.687 107 HB2 CYS 19 1HB CYS 19 0.007 4.435 0.499 108 HB3 CYS 19 2HB CYS 19 -0.268 5.656 1.738 109 H LEU 20 H LEU 20 -2.335 2.826 2.931 110 HA LEU 20 HA LEU 20 -4.539 3.867 4.327 111 HB2 LEU 20 1HB LEU 20 -2.401 1.980 5.303 112 HB3 LEU 20 2HB LEU 20 -3.963 2.248 6.073 113 HG LEU 20 HG LEU 20 -4.863 1.472 3.710 114 HD11 LEU 20 1HD1 LEU 20 -3.056 1.052 2.399 115 HD12 LEU 20 2HD1 LEU 20 -3.209 -0.530 3.164 116 HD13 LEU 20 3HD1 LEU 20 -2.021 0.628 3.763 117 HD21 LEU 20 1HD2 LEU 20 -4.753 -0.909 4.621 118 HD22 LEU 20 2HD2 LEU 20 -5.520 0.312 5.638 119 HD23 LEU 20 3HD2 LEU 20 -3.874 -0.219 5.986 120 H CYS 21 H CYS 21 -1.072 4.262 4.772 121 HA CYS 21 HA CYS 21 -1.149 5.509 7.297 122 HB2 CYS 21 1HB CYS 21 1.113 6.243 6.819 123 HB3 CYS 21 2HB CYS 21 0.906 4.587 6.259 124 H HIS 22 H HIS 22 -2.455 6.541 4.444 125 HA HIS 22 HA HIS 22 -3.357 8.510 3.745 126 HB2 HIS 22 1HB HIS 22 -2.744 9.310 6.594 127 HB3 HIS 22 2HB HIS 22 -3.638 10.324 5.465 128 HD1 HIS 22 1HD HIS 22 -5.838 8.954 4.399 129 HD2 HIS 22 2HD HIS 22 -4.370 7.779 8.104 130 HE1 HIS 22 1HE HIS 22 -7.710 7.678 5.490 131 HE2 HIS 22 2HE HIS 22 -6.828 7.050 7.764 132 H GLN 23 H GLN 23 -0.966 8.172 2.739 133 HA GLN 23 HA GLN 23 0.396 10.763 3.077 134 HB2 GLN 23 1HB GLN 23 1.512 8.010 2.658 135 HB3 GLN 23 2HB GLN 23 2.418 9.422 2.129 136 HG2 GLN 23 1HG GLN 23 1.381 9.388 4.910 137 HG3 GLN 23 2HG GLN 23 2.757 8.359 4.516 138 HE21 GLN 23 1HE2 GLN 23 4.663 9.359 3.681 139 HE22 GLN 23 2HE2 GLN 23 5.023 11.004 4.066 140 H VAL 24 H VAL 24 1.619 11.451 1.106 141 HA VAL 24 HA VAL 24 -0.088 11.081 -1.232 142 HB VAL 24 HB VAL 24 0.879 13.046 -2.136 143 HG11 VAL 24 1HG1 VAL 24 0.953 14.440 0.242 144 HG12 VAL 24 2HG1 VAL 24 -0.488 14.096 -0.718 145 HG13 VAL 24 3HG1 VAL 24 -0.045 13.036 0.621 146 HG21 VAL 24 1HG2 VAL 24 2.777 14.171 -0.751 147 HG22 VAL 24 2HG2 VAL 24 3.061 12.535 -0.158 148 HG23 VAL 24 3HG2 VAL 24 3.170 12.878 -1.885 149 H SER 25 H SER 25 1.202 11.244 -3.397 150 HA SER 25 HA SER 25 2.514 8.861 -3.834 151 HB2 SER 25 1HB SER 25 2.983 9.633 -6.004 152 HB3 SER 25 2HB SER 25 1.556 10.557 -5.533 153 HG SER 25 HG SER 25 3.324 12.113 -4.745 154 H TYR 26 H TYR 26 4.452 8.104 -3.320 155 HA TYR 26 HA TYR 26 6.836 9.630 -3.458 156 HB2 TYR 26 1HB TYR 26 7.389 9.983 -1.221 157 HB3 TYR 26 2HB TYR 26 5.676 10.384 -1.259 158 HD1 TYR 26 1HD TYR 26 7.890 7.429 -0.668 159 HD2 TYR 26 2HD TYR 26 4.322 9.495 0.385 160 HE1 TYR 26 1HE TYR 26 7.472 5.788 1.116 161 HE2 TYR 26 2HE TYR 26 3.896 7.860 2.172 162 HH TYR 26 HH TYR 26 5.443 6.250 3.602 163 H GLY 27 H GLY 27 8.602 8.323 -3.563 164 HA2 GLY 27 1HA GLY 27 9.848 6.392 -3.614 165 HA3 GLY 27 2HA GLY 27 8.789 5.766 -2.359 166 H GLU 28 H GLU 28 8.785 3.698 -3.292 167 HA GLU 28 HA GLU 28 7.781 3.375 -5.993 168 HB2 GLU 28 1HB GLU 28 8.521 1.324 -3.898 169 HB3 GLU 28 2HB GLU 28 8.082 0.958 -5.560 170 HG2 GLU 28 1HG GLU 28 10.425 2.673 -4.778 171 HG3 GLU 28 2HG GLU 28 10.526 0.943 -5.102 172 H MET 29 H MET 29 5.745 2.901 -6.555 173 HA MET 29 HA MET 29 3.874 1.992 -4.488 174 HB2 MET 29 1HB MET 29 3.443 4.327 -6.355 175 HB3 MET 29 2HB MET 29 2.159 3.570 -5.423 176 HG2 MET 29 1HG MET 29 3.491 4.101 -3.360 177 HG3 MET 29 2HG MET 29 4.548 5.066 -4.388 178 HE1 MET 29 1HE MET 29 0.077 5.757 -3.794 179 HE2 MET 29 2HE MET 29 0.966 4.236 -3.714 180 HE3 MET 29 3HE MET 29 1.000 5.351 -2.347 181 H ILE 30 H ILE 30 1.800 1.202 -5.449 182 HA ILE 30 HA ILE 30 2.093 0.249 -8.207 183 HB ILE 30 HB ILE 30 1.628 -1.995 -7.707 184 HG12 ILE 30 1HG1 ILE 30 -0.153 -1.745 -6.109 185 HG13 ILE 30 2HG1 ILE 30 1.087 -2.759 -5.379 186 HG21 ILE 30 1HG2 ILE 30 3.469 -1.055 -5.511 187 HG22 ILE 30 2HG2 ILE 30 3.406 -2.673 -6.208 188 HG23 ILE 30 3HG2 ILE 30 3.935 -1.310 -7.193 189 HD11 ILE 30 1HD1 ILE 30 0.203 -0.027 -4.669 190 HD12 ILE 30 2HD1 ILE 30 0.664 -1.380 -3.635 191 HD13 ILE 30 3HD1 ILE 30 1.906 -0.422 -4.441 192 H GLY 31 H GLY 31 0.000 -0.829 -8.955 193 HA2 GLY 31 1HA GLY 31 -2.289 0.661 -7.823 194 HA3 GLY 31 2HA GLY 31 -2.078 0.387 -9.546 195 H CYS 32 H CYS 32 -3.498 -0.740 -6.712 196 HA CYS 32 HA CYS 32 -3.619 -3.448 -6.838 197 HB2 CYS 32 1HB CYS 32 -4.833 -1.915 -5.224 198 HB3 CYS 32 2HB CYS 32 -6.091 -1.759 -6.447 199 H ASP 33 H ASP 33 -4.526 -5.000 -8.083 200 HA ASP 33 HA ASP 33 -5.269 -4.348 -10.749 201 HB2 ASP 33 1HB ASP 33 -4.148 -6.427 -10.374 202 HB3 ASP 33 2HB ASP 33 -5.348 -6.932 -9.188 203 H ASN 34 H ASN 34 -7.057 -5.206 -7.846 204 HA ASN 34 HA ASN 34 -9.548 -5.767 -8.898 205 HB2 ASN 34 1HB ASN 34 -8.665 -5.705 -6.420 206 HB3 ASN 34 2HB ASN 34 -9.350 -4.083 -6.430 207 HD21 ASN 34 1HD2 ASN 34 -10.933 -4.584 -4.947 208 HD22 ASN 34 2HD2 ASN 34 -12.284 -5.591 -5.329 209 HA PRO 35 HA PRO 35 -10.582 -1.923 -10.882 210 HB2 PRO 35 1HB PRO 35 -13.091 -2.648 -11.624 211 HB3 PRO 35 2HB PRO 35 -11.641 -3.209 -12.465 212 HG2 PRO 35 1HG PRO 35 -13.299 -4.612 -10.405 213 HG3 PRO 35 2HG PRO 35 -12.601 -5.252 -11.904 214 HD2 PRO 35 1HD PRO 35 -11.474 -5.669 -9.478 215 HD3 PRO 35 2HD PRO 35 -10.514 -5.523 -10.965 216 H ASP 36 H ASP 36 -12.289 -3.420 -8.253 217 HA ASP 36 HA ASP 36 -14.105 -1.225 -7.831 218 HB2 ASP 36 1HB ASP 36 -14.544 -3.654 -7.208 219 HB3 ASP 36 2HB ASP 36 -13.433 -3.411 -5.862 220 H CYS 37 H CYS 37 -11.036 -2.320 -6.505 221 HA CYS 37 HA CYS 37 -10.693 -0.960 -4.219 222 HB2 CYS 37 1HB CYS 37 -8.975 -2.261 -5.697 223 HB3 CYS 37 2HB CYS 37 -8.558 -0.663 -6.306 224 H SER 38 H SER 38 -11.363 1.005 -3.671 225 HA SER 38 HA SER 38 -11.734 3.132 -5.500 226 HB2 SER 38 1HB SER 38 -11.703 2.999 -2.486 227 HB3 SER 38 2HB SER 38 -11.980 4.509 -3.355 228 HG SER 38 HG SER 38 -13.500 2.326 -4.149 229 H ILE 39 H ILE 39 -9.209 2.425 -3.120 230 HA ILE 39 HA ILE 39 -7.733 4.819 -3.693 231 HB ILE 39 HB ILE 39 -6.937 2.327 -2.184 232 HG12 ILE 39 1HG1 ILE 39 -7.622 5.069 -1.118 233 HG13 ILE 39 2HG1 ILE 39 -8.800 3.769 -1.257 234 HG21 ILE 39 1HG2 ILE 39 -4.853 3.092 -2.497 235 HG22 ILE 39 2HG2 ILE 39 -5.409 4.683 -3.012 236 HG23 ILE 39 3HG2 ILE 39 -5.293 4.304 -1.294 237 HD11 ILE 39 1HD1 ILE 39 -6.343 3.040 0.157 238 HD12 ILE 39 2HD1 ILE 39 -7.317 4.282 0.944 239 HD13 ILE 39 3HD1 ILE 39 -8.030 2.717 0.558 240 H GLU 40 H GLU 40 -6.819 1.388 -4.070 241 HA GLU 40 HA GLU 40 -5.493 0.327 -5.585 242 HB2 GLU 40 1HB GLU 40 -7.311 1.130 -7.105 243 HB3 GLU 40 2HB GLU 40 -6.328 2.543 -7.461 244 HG2 GLU 40 1HG GLU 40 -4.721 1.290 -8.595 245 HG3 GLU 40 2HG GLU 40 -5.284 -0.228 -7.899 246 H TRP 41 H TRP 41 -4.120 1.947 -3.860 247 HA TRP 41 HA TRP 41 -1.692 2.373 -5.279 248 HB2 TRP 41 1HB TRP 41 -3.338 4.760 -4.490 249 HB3 TRP 41 2HB TRP 41 -1.580 4.860 -4.531 250 HD1 TRP 41 HD TRP 41 -4.556 5.183 -6.715 251 HE1 TRP 41 1HE TRP 41 -3.841 5.403 -9.178 252 HE3 TRP 41 3HE TRP 41 0.357 3.844 -6.257 253 HZ2 TRP 41 2HZ TRP 41 -1.503 5.055 -10.722 254 HZ3 TRP 41 3HZ TRP 41 1.764 3.812 -8.275 255 HH2 TRP 41 HH TRP 41 0.851 4.405 -10.461 256 H PHE 42 H PHE 42 -0.142 1.814 -3.909 257 HA PHE 42 HA PHE 42 -0.289 2.645 -1.118 258 HB2 PHE 42 1HB PHE 42 0.150 -0.246 -1.893 259 HB3 PHE 42 2HB PHE 42 0.124 0.410 -0.259 260 HD1 PHE 42 1HD PHE 42 -2.003 0.038 -3.287 261 HD2 PHE 42 2HD PHE 42 -1.847 0.413 0.950 262 HE1 PHE 42 1HE PHE 42 -4.425 -0.380 -3.164 263 HE2 PHE 42 2HE PHE 42 -4.268 -0.005 1.080 264 HZ PHE 42 HZ PHE 42 -5.560 -0.404 -0.979 265 H HIS 43 H HIS 43 1.784 2.061 0.052 266 HA HIS 43 HA HIS 43 4.028 2.592 -1.758 267 HB2 HIS 43 1HB HIS 43 3.893 2.851 1.253 268 HB3 HIS 43 2HB HIS 43 5.225 3.368 0.224 269 HD2 HIS 43 2HD HIS 43 4.513 5.593 -1.519 270 HE1 HIS 43 1HE HIS 43 1.347 6.830 1.019 271 HE2 HIS 43 2HE HIS 43 2.779 7.430 -0.964 272 H PHE 44 H PHE 44 5.659 1.190 -2.044 273 HA PHE 44 HA PHE 44 5.471 -1.486 -1.568 274 HB2 PHE 44 1HB PHE 44 7.826 0.315 -1.990 275 HB3 PHE 44 2HB PHE 44 8.094 -1.387 -1.630 276 HD1 PHE 44 2HD PHE 44 5.542 0.342 -3.726 277 HD2 PHE 44 1HD PHE 44 8.760 -2.440 -3.562 278 HE1 PHE 44 2HE PHE 44 5.181 -0.211 -6.096 279 HE2 PHE 44 1HE PHE 44 8.404 -2.996 -5.932 280 HZ PHE 44 HZ PHE 44 6.612 -1.883 -7.202 281 H ALA 45 H ALA 45 7.459 0.744 0.384 282 HA ALA 45 HA ALA 45 8.248 -1.033 2.348 283 HB1 ALA 45 1HB ALA 45 7.582 1.851 2.889 284 HB2 ALA 45 2HB ALA 45 8.788 0.842 3.690 285 HB3 ALA 45 3HB ALA 45 9.028 1.342 2.016 286 H CYS 46 H CYS 46 5.227 0.747 2.043 287 HA CYS 46 HA CYS 46 4.242 0.059 4.632 288 HB2 CYS 46 1HB CYS 46 3.043 1.253 2.156 289 HB3 CYS 46 2HB CYS 46 1.993 0.717 3.463 290 H VAL 47 H VAL 47 3.927 -1.314 1.404 291 HA VAL 47 HA VAL 47 2.232 -3.461 2.461 292 HB VAL 47 HB VAL 47 1.821 -4.084 0.141 293 HG11 VAL 47 1HG1 VAL 47 0.368 -2.354 -0.373 294 HG12 VAL 47 2HG1 VAL 47 0.617 -2.140 1.361 295 HG13 VAL 47 3HG1 VAL 47 1.476 -1.113 0.212 296 HG21 VAL 47 1HG2 VAL 47 3.739 -1.849 -0.502 297 HG22 VAL 47 2HG2 VAL 47 3.934 -3.563 -0.869 298 HG23 VAL 47 3HG2 VAL 47 2.685 -2.624 -1.685 299 H GLY 48 H GLY 48 5.109 -3.241 3.042 300 HA2 GLY 48 1HA GLY 48 7.083 -4.457 2.837 301 HA3 GLY 48 2HA GLY 48 5.960 -5.773 3.150 302 H LEU 49 H LEU 49 7.142 -3.768 0.453 303 HA LEU 49 HA LEU 49 7.109 -6.195 -1.218 304 HB2 LEU 49 1HB LEU 49 6.210 -3.425 -1.758 305 HB3 LEU 49 2HB LEU 49 7.021 -4.274 -3.072 306 HG LEU 49 HG LEU 49 4.570 -5.293 -1.638 307 HD11 LEU 49 1HD1 LEU 49 3.272 -4.107 -2.999 308 HD12 LEU 49 2HD1 LEU 49 4.241 -4.527 -4.411 309 HD13 LEU 49 3HD1 LEU 49 4.705 -3.160 -3.399 310 HD21 LEU 49 1HD2 LEU 49 4.722 -6.468 -4.113 311 HD22 LEU 49 2HD2 LEU 49 5.208 -7.211 -2.589 312 HD23 LEU 49 3HD2 LEU 49 6.410 -6.412 -3.604 313 H THR 50 H THR 50 9.222 -6.792 -0.981 314 HA THR 50 HA THR 50 11.445 -5.119 -0.875 315 HB THR 50 HB THR 50 12.739 -7.135 -1.698 316 HG1 THR 50 1HG THR 50 10.202 -8.418 -1.534 317 HG21 THR 50 1HG2 THR 50 11.535 -6.624 0.745 318 HG22 THR 50 2HG2 THR 50 12.813 -7.800 0.437 319 HG23 THR 50 3HG2 THR 50 11.124 -8.307 0.415 320 H THR 51 H THR 51 9.720 -6.444 -3.638 321 HA THR 51 HA THR 51 11.077 -4.534 -5.370 322 HB THR 51 HB THR 51 12.430 -6.606 -5.532 323 HG1 THR 51 1HG THR 51 12.556 -6.462 -7.720 324 HG21 THR 51 1HG2 THR 51 10.788 -8.232 -7.129 325 HG22 THR 51 2HG2 THR 51 9.828 -7.815 -5.709 326 HG23 THR 51 3HG2 THR 51 11.403 -8.583 -5.514 327 H LYS 52 H LYS 52 10.097 -4.686 -7.659 328 HA LYS 52 HA LYS 52 7.298 -4.303 -7.425 329 HB2 LYS 52 1HB LYS 52 8.959 -3.245 -9.097 330 HB3 LYS 52 2HB LYS 52 8.729 -4.713 -10.039 331 HG2 LYS 52 1HG LYS 52 6.319 -4.260 -10.132 332 HG3 LYS 52 2HG LYS 52 6.578 -2.767 -9.226 333 HD2 LYS 52 1HD LYS 52 8.081 -1.986 -11.038 334 HD3 LYS 52 2HD LYS 52 7.684 -3.442 -11.953 335 HE2 LYS 52 1HE LYS 52 6.202 -1.921 -12.844 336 HE3 LYS 52 2HE LYS 52 5.223 -2.663 -11.580 337 HZ1 LYS 52 1HZ LYS 52 6.692 -0.093 -11.335 338 HZ2 LYS 52 2HZ LYS 52 5.738 -0.803 -10.132 339 HZ3 LYS 52 3HZ LYS 52 5.024 -0.254 -11.564 340 HA PRO 53 HA PRO 53 6.176 -8.606 -7.828 341 HB2 PRO 53 1HB PRO 53 3.498 -8.196 -7.648 342 HB3 PRO 53 2HB PRO 53 4.569 -8.180 -6.242 343 HG2 PRO 53 1HG PRO 53 3.454 -5.879 -7.799 344 HG3 PRO 53 2HG PRO 53 3.608 -6.072 -6.043 345 HD2 PRO 53 1HD PRO 53 5.351 -4.604 -7.506 346 HD3 PRO 53 2HD PRO 53 5.839 -5.492 -6.049 347 H ARG 54 H ARG 54 5.780 -9.812 -9.587 348 HA ARG 54 HA ARG 54 5.038 -8.469 -12.053 349 HB2 ARG 54 1HB ARG 54 6.915 -10.256 -11.701 350 HB3 ARG 54 2HB ARG 54 5.593 -11.406 -11.845 351 HG2 ARG 54 1HG ARG 54 5.845 -9.310 -13.931 352 HG3 ARG 54 2HG ARG 54 7.010 -10.636 -13.932 353 HD2 ARG 54 1HD ARG 54 4.131 -11.310 -13.653 354 HD3 ARG 54 2HD ARG 54 4.703 -10.781 -15.234 355 HE ARG 54 HE ARG 54 6.399 -12.788 -14.177 356 HH11 ARG 54 2HH1 ARG 54 3.274 -12.317 -15.639 357 HH12 ARG 54 1HH1 ARG 54 3.204 -13.912 -16.313 358 HH21 ARG 54 2HH2 ARG 54 6.318 -14.890 -15.059 359 HH22 ARG 54 1HH2 ARG 54 4.936 -15.375 -15.982 360 H GLY 55 H GLY 55 3.314 -9.108 -13.397 361 HA2 GLY 55 1HA GLY 55 1.295 -10.145 -13.928 362 HA3 GLY 55 2HA GLY 55 1.388 -11.043 -12.420 363 H LYS 56 H LYS 56 -0.123 -10.551 -10.993 364 HA LYS 56 HA LYS 56 -1.265 -7.834 -11.045 365 HB2 LYS 56 1HB LYS 56 -2.607 -10.436 -10.285 366 HB3 LYS 56 2HB LYS 56 -3.352 -8.846 -10.178 367 HG2 LYS 56 1HG LYS 56 -3.106 -8.591 -12.612 368 HG3 LYS 56 2HG LYS 56 -2.427 -10.219 -12.694 369 HD2 LYS 56 1HD LYS 56 -5.107 -9.732 -11.441 370 HD3 LYS 56 2HD LYS 56 -4.942 -9.889 -13.192 371 HE2 LYS 56 1HE LYS 56 -3.750 -12.068 -12.767 372 HE3 LYS 56 2HE LYS 56 -4.238 -11.917 -11.080 373 HZ1 LYS 56 1HZ LYS 56 -5.839 -13.263 -12.138 374 HZ2 LYS 56 2HZ LYS 56 -5.991 -12.207 -13.451 375 HZ3 LYS 56 3HZ LYS 56 -6.575 -11.754 -11.929 376 H TRP 57 H TRP 57 -2.230 -7.160 -8.924 377 HA TRP 57 HA TRP 57 -0.999 -8.365 -6.577 378 HB2 TRP 57 1HB TRP 57 0.688 -6.758 -7.309 379 HB3 TRP 57 2HB TRP 57 -0.525 -5.481 -7.361 380 HD1 TRP 57 HD TRP 57 1.266 -7.745 -4.789 381 HE1 TRP 57 1HE TRP 57 1.306 -6.512 -2.530 382 HE3 TRP 57 3HE TRP 57 -1.544 -3.664 -6.044 383 HZ2 TRP 57 2HZ TRP 57 0.280 -4.125 -1.427 384 HZ3 TRP 57 3HZ TRP 57 -1.969 -1.951 -4.329 385 HH2 TRP 57 HH TRP 57 -1.075 -2.179 -2.068 386 H PHE 58 H PHE 58 -2.511 -8.516 -5.069 387 HA PHE 58 HA PHE 58 -4.781 -6.654 -5.154 388 HB2 PHE 58 1HB PHE 58 -4.548 -9.355 -3.809 389 HB3 PHE 58 2HB PHE 58 -5.993 -8.350 -3.844 390 HD1 PHE 58 2HD PHE 58 -6.774 -7.657 -6.272 391 HD2 PHE 58 1HD PHE 58 -4.349 -11.033 -5.358 392 HE1 PHE 58 2HE PHE 58 -7.458 -8.716 -8.384 393 HE2 PHE 58 1HE PHE 58 -5.029 -12.098 -7.469 394 HZ PHE 58 HZ PHE 58 -6.586 -10.940 -8.985 395 H CYS 59 H CYS 59 -4.366 -4.950 -3.883 396 HA CYS 59 HA CYS 59 -2.673 -4.602 -1.825 397 HB2 CYS 59 1HB CYS 59 -3.968 -2.766 -1.111 398 HB3 CYS 59 2HB CYS 59 -4.343 -2.934 -2.823 399 HA PRO 60 HA PRO 60 -3.775 -7.117 1.599 400 HB2 PRO 60 1HB PRO 60 -3.054 -5.525 3.676 401 HB3 PRO 60 2HB PRO 60 -1.879 -6.334 2.632 402 HG2 PRO 60 1HG PRO 60 -2.848 -3.503 2.555 403 HG3 PRO 60 2HG PRO 60 -1.198 -4.125 2.374 404 HD2 PRO 60 1HD PRO 60 -2.718 -3.392 0.257 405 HD3 PRO 60 2HD PRO 60 -1.522 -4.700 0.166 406 H ARG 61 H ARG 61 -5.542 -4.494 0.729 407 HA ARG 61 HA ARG 61 -7.307 -4.610 3.076 408 HB2 ARG 61 1HB ARG 61 -6.895 -2.558 0.920 409 HB3 ARG 61 2HB ARG 61 -8.370 -2.573 1.877 410 HG2 ARG 61 1HG ARG 61 -6.941 -2.432 3.925 411 HG3 ARG 61 2HG ARG 61 -5.555 -2.187 2.860 412 HD2 ARG 61 1HD ARG 61 -7.916 -0.407 3.333 413 HD3 ARG 61 2HD ARG 61 -6.198 -0.023 3.428 414 HE ARG 61 HE ARG 61 -6.145 0.245 1.122 415 HH11 ARG 61 2HH1 ARG 61 -9.261 -0.894 2.176 416 HH12 ARG 61 1HH1 ARG 61 -10.041 -0.554 0.667 417 HH21 ARG 61 2HH2 ARG 61 -7.160 0.697 -0.870 418 HH22 ARG 61 1HH2 ARG 61 -8.845 0.350 -1.065 419 H CYS 62 H CYS 62 -7.035 -5.518 -0.215 420 HA CYS 62 HA CYS 62 -9.915 -5.907 -0.517 421 HB2 CYS 62 1HB CYS 62 -7.590 -6.137 -2.424 422 HB3 CYS 62 2HB CYS 62 -9.208 -6.689 -2.846 423 H SER 63 H SER 63 -6.933 -7.832 -0.853 424 HA SER 63 HA SER 63 -8.067 -10.323 -1.197 425 HB2 SER 63 1HB SER 63 -5.673 -9.967 -1.427 426 HB3 SER 63 2HB SER 63 -5.531 -9.606 0.294 427 HG SER 63 HG SER 63 -6.663 -11.907 0.267 428 H GLN 64 H GLN 64 -7.143 -8.786 1.879 429 HA GLN 64 HA GLN 64 -7.969 -10.828 3.583 430 HB2 GLN 64 1HB GLN 64 -7.951 -7.843 4.061 431 HB3 GLN 64 2HB GLN 64 -8.124 -9.059 5.320 432 HG2 GLN 64 1HG GLN 64 -5.759 -9.107 3.497 433 HG3 GLN 64 2HG GLN 64 -5.810 -8.002 4.870 434 HE21 GLN 64 1HE2 GLN 64 -6.193 -11.409 4.009 435 HE22 GLN 64 2HE2 GLN 64 -5.557 -12.037 5.487 436 H GLU 65 H GLU 65 -9.778 -7.975 2.465 437 HA GLU 65 HA GLU 65 -12.150 -8.445 3.835 438 HB2 GLU 65 1HB GLU 65 -11.829 -6.351 2.727 439 HB3 GLU 65 2HB GLU 65 -11.641 -7.136 1.165 440 HG2 GLU 65 1HG GLU 65 -13.807 -6.071 1.341 441 HG3 GLU 65 2HG GLU 65 -13.979 -7.821 1.218 442 H SER 66 H SER 66 -13.072 -10.409 3.867 443 HA SER 66 HA SER 66 -13.047 -12.305 1.825 444 HB2 SER 66 1HB SER 66 -14.612 -13.529 3.108 445 HB3 SER 66 2HB SER 66 -13.682 -12.610 4.291 446 HG SER 66 HG SER 66 -15.568 -11.006 3.780 447 H GLY 67 H GLY 67 -14.705 -13.026 0.393 448 HA2 GLY 67 1HA GLY 67 -17.164 -11.918 -0.094 449 HA3 GLY 67 2HA GLY 67 -16.039 -10.864 -0.937 450 HA PRO 68 HA PRO 68 -16.172 -15.311 -2.950 451 HB2 PRO 68 1HB PRO 68 -18.687 -16.331 -2.938 452 HB3 PRO 68 2HB PRO 68 -17.500 -16.687 -1.678 453 HG2 PRO 68 1HG PRO 68 -19.751 -14.714 -1.657 454 HG3 PRO 68 2HG PRO 68 -19.225 -15.824 -0.379 455 HD2 PRO 68 1HD PRO 68 -18.571 -13.197 -0.386 456 HD3 PRO 68 2HD PRO 68 -17.501 -14.445 0.283 457 H SER 69 H SER 69 -16.071 -14.845 -5.048 458 HA SER 69 HA SER 69 -17.897 -12.976 -6.262 459 HB2 SER 69 1HB SER 69 -15.389 -13.195 -6.758 460 HB3 SER 69 2HB SER 69 -15.821 -14.610 -7.717 461 HG SER 69 HG SER 69 -15.838 -12.154 -8.528 462 H SER 70 H SER 70 -19.838 -13.575 -6.937 463 HA SER 70 HA SER 70 -20.170 -16.282 -8.055 464 HB2 SER 70 1HB SER 70 -22.402 -16.320 -7.255 465 HB3 SER 70 2HB SER 70 -21.447 -15.664 -5.925 466 HG SER 70 HG SER 70 -22.102 -13.569 -7.226 467 H GLY 71 H GLY 71 -22.021 -16.419 -9.662 468 HA2 GLY 71 1HA GLY 71 -23.356 -15.273 -11.322 469 HA3 GLY 71 2HA GLY 71 -22.169 -13.978 -11.309 Start of MODEL 12 1 H1 GLY 1 H GLY 1 6.496 30.341 -9.597 2 HA2 GLY 1 1HA GLY 1 8.950 30.446 -8.722 3 HA3 GLY 1 2HA GLY 1 8.251 31.637 -7.634 4 H SER 2 H SER 2 9.343 28.675 -7.566 5 HA SER 2 HA SER 2 7.455 27.848 -5.495 6 HB2 SER 2 1HB SER 2 6.764 26.720 -7.614 7 HB3 SER 2 2HB SER 2 8.357 25.966 -7.689 8 HG SER 2 HG SER 2 7.835 25.104 -5.546 9 H SER 3 H SER 3 8.546 27.358 -3.720 10 HA SER 3 HA SER 3 11.407 26.832 -3.896 11 HB2 SER 3 1HB SER 3 11.421 27.188 -1.471 12 HB3 SER 3 2HB SER 3 10.598 28.519 -2.285 13 HG SER 3 HG SER 3 8.698 26.869 -1.802 14 H GLY 4 H GLY 4 12.263 25.199 -2.226 15 HA2 GLY 4 1HA GLY 4 10.529 22.926 -1.740 16 HA3 GLY 4 2HA GLY 4 11.787 22.649 -2.936 17 H SER 5 H SER 5 11.242 21.614 -0.130 18 HA SER 5 HA SER 5 13.976 21.490 0.684 19 HB2 SER 5 1HB SER 5 13.600 22.476 2.959 20 HB3 SER 5 2HB SER 5 13.532 23.656 1.650 21 HG SER 5 HG SER 5 11.147 22.435 2.425 22 H SER 6 H SER 6 14.219 20.194 2.722 23 HA SER 6 HA SER 6 12.066 18.191 2.852 24 HB2 SER 6 1HB SER 6 13.763 16.585 3.534 25 HB3 SER 6 2HB SER 6 14.272 17.378 2.043 26 HG SER 6 HG SER 6 15.983 17.300 3.524 27 H GLY 7 H GLY 7 10.956 17.973 4.681 28 HA2 GLY 7 1HA GLY 7 12.122 18.297 7.267 29 HA3 GLY 7 2HA GLY 7 11.124 19.679 6.840 30 H ASP 8 H ASP 8 10.835 17.535 8.907 31 HA ASP 8 HA ASP 8 8.627 15.903 8.131 32 HB2 ASP 8 1HB ASP 8 8.529 15.230 10.442 33 HB3 ASP 8 2HB ASP 8 10.223 15.338 9.972 34 H MET 9 H MET 9 6.942 17.116 7.363 35 HA MET 9 HA MET 9 5.627 18.867 9.331 36 HB2 MET 9 1HB MET 9 6.259 19.349 6.466 37 HB3 MET 9 2HB MET 9 4.714 19.941 7.060 38 HG2 MET 9 1HG MET 9 6.041 21.764 7.410 39 HG3 MET 9 2HG MET 9 6.165 20.958 8.972 40 HE1 MET 9 1HE MET 9 8.832 23.114 7.636 41 HE2 MET 9 2HE MET 9 9.290 22.239 6.174 42 HE3 MET 9 3HE MET 9 7.610 22.714 6.428 43 HA PRO 10 HA PRO 10 1.938 16.563 8.759 44 HB2 PRO 10 1HB PRO 10 0.021 18.486 8.801 45 HB3 PRO 10 2HB PRO 10 0.920 17.994 10.241 46 HG2 PRO 10 1HG PRO 10 1.350 20.359 8.457 47 HG3 PRO 10 2HG PRO 10 1.392 20.271 10.228 48 HD2 PRO 10 1HD PRO 10 3.639 20.292 8.716 49 HD3 PRO 10 2HD PRO 10 3.535 19.421 10.259 50 H VAL 11 H VAL 11 0.270 16.003 7.292 51 HA VAL 11 HA VAL 11 0.789 16.095 4.630 52 HB VAL 11 HB VAL 11 -1.589 15.612 4.204 53 HG11 VAL 11 1HG1 VAL 11 -1.693 13.556 5.416 54 HG12 VAL 11 2HG1 VAL 11 0.004 13.882 5.058 55 HG13 VAL 11 3HG1 VAL 11 -0.631 14.182 6.676 56 HG21 VAL 11 1HG2 VAL 11 -2.598 15.441 6.839 57 HG22 VAL 11 2HG2 VAL 11 -1.939 17.064 6.634 58 HG23 VAL 11 3HG2 VAL 11 -3.165 16.462 5.518 59 H ASP 12 H ASP 12 -0.539 17.145 2.868 60 HA ASP 12 HA ASP 12 -1.587 19.773 3.422 61 HB2 ASP 12 1HB ASP 12 0.641 19.819 1.450 62 HB3 ASP 12 2HB ASP 12 0.055 21.093 2.516 63 HA PRO 13 HA PRO 13 -3.942 18.951 -0.187 64 HB2 PRO 13 1HB PRO 13 -4.387 21.458 -1.128 65 HB3 PRO 13 2HB PRO 13 -5.169 20.825 0.324 66 HG2 PRO 13 1HG PRO 13 -2.782 22.615 0.087 67 HG3 PRO 13 2HG PRO 13 -4.153 22.721 1.206 68 HD2 PRO 13 1HD PRO 13 -1.755 21.694 1.933 69 HD3 PRO 13 2HD PRO 13 -3.289 21.116 2.616 70 H ASN 14 H ASN 14 -0.803 19.974 -0.353 71 HA ASN 14 HA ASN 14 -0.473 20.823 -3.000 72 HB2 ASN 14 1HB ASN 14 1.787 20.658 -2.616 73 HB3 ASN 14 2HB ASN 14 1.206 20.650 -0.953 74 HD21 ASN 14 1HD2 ASN 14 0.839 18.502 0.014 75 HD22 ASN 14 2HD2 ASN 14 1.928 17.228 -0.402 76 H GLU 15 H GLU 15 -0.356 17.564 -1.594 77 HA GLU 15 HA GLU 15 -0.887 16.475 -4.265 78 HB2 GLU 15 1HB GLU 15 1.390 15.805 -2.454 79 HB3 GLU 15 2HB GLU 15 0.672 14.515 -3.409 80 HG2 GLU 15 1HG GLU 15 1.762 17.083 -4.535 81 HG3 GLU 15 2HG GLU 15 2.632 15.551 -4.480 82 HA PRO 16 HA PRO 16 -3.996 14.184 -2.152 83 HB2 PRO 16 1HB PRO 16 -4.361 12.192 -3.960 84 HB3 PRO 16 2HB PRO 16 -4.935 13.843 -4.221 85 HG2 PRO 16 1HG PRO 16 -2.468 12.509 -5.266 86 HG3 PRO 16 2HG PRO 16 -3.608 13.572 -6.111 87 HD2 PRO 16 1HD PRO 16 -1.228 14.448 -5.163 88 HD3 PRO 16 2HD PRO 16 -2.666 15.486 -5.236 89 H THR 17 H THR 17 -4.099 12.561 -0.692 90 HA THR 17 HA THR 17 -1.772 10.787 -0.497 91 HB THR 17 HB THR 17 -2.673 10.326 1.827 92 HG1 THR 17 1HG THR 17 -4.182 11.893 2.599 93 HG21 THR 17 1HG2 THR 17 -1.512 12.846 0.824 94 HG22 THR 17 2HG2 THR 17 -0.915 11.732 2.054 95 HG23 THR 17 3HG2 THR 17 -2.169 12.903 2.459 96 H TYR 18 H TYR 18 -1.925 8.644 -0.768 97 HA TYR 18 HA TYR 18 -4.617 7.502 -1.125 98 HB2 TYR 18 1HB TYR 18 -2.011 6.569 -2.346 99 HB3 TYR 18 2HB TYR 18 -3.599 5.869 -2.637 100 HD1 TYR 18 1HD TYR 18 -1.597 8.964 -3.080 101 HD2 TYR 18 2HD TYR 18 -5.005 6.734 -4.312 102 HE1 TYR 18 1HE TYR 18 -1.934 10.524 -4.952 103 HE2 TYR 18 2HE TYR 18 -5.350 8.286 -6.188 104 HH TYR 18 HH TYR 18 -3.068 10.908 -6.848 105 H CYS 19 H CYS 19 -1.347 6.238 -0.468 106 HA CYS 19 HA CYS 19 -1.951 3.937 0.822 107 HB2 CYS 19 1HB CYS 19 0.339 4.466 0.449 108 HB3 CYS 19 2HB CYS 19 0.235 5.926 1.428 109 H LEU 20 H LEU 20 -1.919 3.364 3.141 110 HA LEU 20 HA LEU 20 -3.967 4.658 4.548 111 HB2 LEU 20 1HB LEU 20 -1.831 2.839 5.650 112 HB3 LEU 20 2HB LEU 20 -3.373 3.218 6.415 113 HG LEU 20 HG LEU 20 -4.275 2.195 4.108 114 HD11 LEU 20 1HD1 LEU 20 -1.562 1.679 3.913 115 HD12 LEU 20 2HD1 LEU 20 -2.849 0.912 2.984 116 HD13 LEU 20 3HD1 LEU 20 -2.254 0.152 4.460 117 HD21 LEU 20 1HD2 LEU 20 -4.965 0.399 5.356 118 HD22 LEU 20 2HD2 LEU 20 -4.538 1.537 6.634 119 HD23 LEU 20 3HD2 LEU 20 -3.420 0.245 6.194 120 H CYS 21 H CYS 21 -0.445 4.785 4.949 121 HA CYS 21 HA CYS 21 -0.308 6.355 7.230 122 HB2 CYS 21 1HB CYS 21 1.934 6.915 6.563 123 HB3 CYS 21 2HB CYS 21 1.624 5.250 6.083 124 H HIS 22 H HIS 22 -1.604 7.167 4.234 125 HA HIS 22 HA HIS 22 -2.464 9.090 3.374 126 HB2 HIS 22 1HB HIS 22 -2.051 9.917 6.238 127 HB3 HIS 22 2HB HIS 22 -2.669 11.051 5.041 128 HD1 HIS 22 1HD HIS 22 -4.828 9.838 3.626 129 HD2 HIS 22 2HD HIS 22 -4.072 8.729 7.557 130 HE1 HIS 22 1HE HIS 22 -6.974 8.830 4.464 131 HE2 HIS 22 2HE HIS 22 -6.519 8.244 6.871 132 H GLN 23 H GLN 23 -0.017 8.679 2.519 133 HA GLN 23 HA GLN 23 1.412 11.233 2.850 134 HB2 GLN 23 1HB GLN 23 2.368 8.444 2.313 135 HB3 GLN 23 2HB GLN 23 3.333 9.815 1.781 136 HG2 GLN 23 1HG GLN 23 2.394 9.791 4.593 137 HG3 GLN 23 2HG GLN 23 3.681 8.676 4.138 138 HE21 GLN 23 1HE2 GLN 23 5.598 9.452 4.601 139 HE22 GLN 23 2HE2 GLN 23 6.094 11.101 4.475 140 H VAL 24 H VAL 24 2.655 11.915 0.872 141 HA VAL 24 HA VAL 24 0.844 11.973 -1.371 142 HB VAL 24 HB VAL 24 2.326 13.592 -2.349 143 HG11 VAL 24 1HG1 VAL 24 1.029 14.715 -0.820 144 HG12 VAL 24 2HG1 VAL 24 1.723 13.861 0.560 145 HG13 VAL 24 3HG1 VAL 24 2.646 15.127 -0.251 146 HG21 VAL 24 1HG2 VAL 24 4.272 12.663 -0.253 147 HG22 VAL 24 2HG2 VAL 24 4.475 12.683 -2.005 148 HG23 VAL 24 3HG2 VAL 24 4.456 14.198 -1.102 149 H SER 25 H SER 25 1.624 11.613 -3.601 150 HA SER 25 HA SER 25 2.517 9.009 -3.988 151 HB2 SER 25 1HB SER 25 1.291 10.559 -5.631 152 HB3 SER 25 2HB SER 25 2.888 11.181 -6.046 153 HG SER 25 HG SER 25 2.442 9.523 -7.448 154 H TYR 26 H TYR 26 4.419 8.376 -3.132 155 HA TYR 26 HA TYR 26 6.841 9.412 -4.340 156 HB2 TYR 26 1HB TYR 26 7.903 10.177 -2.428 157 HB3 TYR 26 2HB TYR 26 6.251 10.717 -2.150 158 HD1 TYR 26 1HD TYR 26 8.583 7.915 -1.378 159 HD2 TYR 26 2HD TYR 26 5.153 10.130 -0.180 160 HE1 TYR 26 1HE TYR 26 8.556 6.703 0.762 161 HE2 TYR 26 2HE TYR 26 5.117 8.925 1.964 162 HH TYR 26 HH TYR 26 5.993 7.249 3.149 163 H GLY 27 H GLY 27 8.742 8.075 -3.813 164 HA2 GLY 27 1HA GLY 27 9.764 6.025 -3.674 165 HA3 GLY 27 2HA GLY 27 8.632 5.680 -2.375 166 H GLU 28 H GLU 28 9.158 3.512 -3.588 167 HA GLU 28 HA GLU 28 7.900 2.959 -6.042 168 HB2 GLU 28 1HB GLU 28 8.631 1.147 -3.739 169 HB3 GLU 28 2HB GLU 28 8.035 0.563 -5.287 170 HG2 GLU 28 1HG GLU 28 10.463 0.424 -5.136 171 HG3 GLU 28 2HG GLU 28 9.950 1.518 -6.419 172 H MET 29 H MET 29 5.844 2.588 -6.578 173 HA MET 29 HA MET 29 3.919 1.935 -4.460 174 HB2 MET 29 1HB MET 29 3.626 4.105 -6.540 175 HB3 MET 29 2HB MET 29 2.284 3.486 -5.587 176 HG2 MET 29 1HG MET 29 3.610 4.130 -3.538 177 HG3 MET 29 2HG MET 29 4.698 4.987 -4.626 178 HE1 MET 29 1HE MET 29 0.270 6.012 -3.899 179 HE2 MET 29 2HE MET 29 0.894 4.401 -4.256 180 HE3 MET 29 3HE MET 29 1.255 5.164 -2.707 181 H ILE 30 H ILE 30 1.795 1.194 -5.401 182 HA ILE 30 HA ILE 30 2.101 -0.074 -8.027 183 HB ILE 30 HB ILE 30 1.397 -2.210 -7.285 184 HG12 ILE 30 1HG1 ILE 30 -0.180 -1.127 -5.521 185 HG13 ILE 30 2HG1 ILE 30 0.483 -2.726 -5.202 186 HG21 ILE 30 1HG2 ILE 30 3.392 -1.209 -5.258 187 HG22 ILE 30 2HG2 ILE 30 3.170 -2.877 -5.784 188 HG23 ILE 30 3HG2 ILE 30 3.775 -1.668 -6.917 189 HD11 ILE 30 1HD1 ILE 30 2.033 -1.882 -3.650 190 HD12 ILE 30 2HD1 ILE 30 1.755 -0.217 -4.163 191 HD13 ILE 30 3HD1 ILE 30 0.500 -1.091 -3.285 192 H GLY 31 H GLY 31 0.027 -0.912 -8.884 193 HA2 GLY 31 1HA GLY 31 -2.214 0.764 -7.935 194 HA3 GLY 31 2HA GLY 31 -1.954 0.332 -9.618 195 H CYS 32 H CYS 32 -3.300 -0.621 -6.600 196 HA CYS 32 HA CYS 32 -3.679 -3.267 -6.622 197 HB2 CYS 32 1HB CYS 32 -4.783 -1.552 -5.102 198 HB3 CYS 32 2HB CYS 32 -6.045 -1.417 -6.323 199 H ASP 33 H ASP 33 -4.981 -4.805 -7.613 200 HA ASP 33 HA ASP 33 -5.594 -4.285 -10.371 201 HB2 ASP 33 1HB ASP 33 -5.712 -6.705 -8.598 202 HB3 ASP 33 2HB ASP 33 -6.470 -6.732 -10.188 203 H ASN 34 H ASN 34 -7.416 -4.778 -7.404 204 HA ASN 34 HA ASN 34 -9.967 -5.091 -8.519 205 HB2 ASN 34 1HB ASN 34 -9.136 -5.342 -6.054 206 HB3 ASN 34 2HB ASN 34 -9.557 -3.637 -5.926 207 HD21 ASN 34 1HD2 ASN 34 -11.204 -4.015 -4.472 208 HD22 ASN 34 2HD2 ASN 34 -12.696 -4.756 -4.930 209 HA PRO 35 HA PRO 35 -10.486 -1.007 -10.223 210 HB2 PRO 35 1HB PRO 35 -13.010 -1.410 -11.137 211 HB3 PRO 35 2HB PRO 35 -11.578 -2.039 -11.961 212 HG2 PRO 35 1HG PRO 35 -13.469 -3.442 -10.112 213 HG3 PRO 35 2HG PRO 35 -12.757 -4.016 -11.631 214 HD2 PRO 35 1HD PRO 35 -11.804 -4.752 -9.206 215 HD3 PRO 35 2HD PRO 35 -10.758 -4.575 -10.629 216 H ASP 36 H ASP 36 -12.715 -2.578 -8.000 217 HA ASP 36 HA ASP 36 -14.260 -0.265 -7.413 218 HB2 ASP 36 1HB ASP 36 -13.856 -2.857 -5.913 219 HB3 ASP 36 2HB ASP 36 -14.982 -1.604 -5.400 220 H CYS 37 H CYS 37 -11.415 -1.751 -5.943 221 HA CYS 37 HA CYS 37 -11.069 -0.606 -3.573 222 HB2 CYS 37 1HB CYS 37 -9.354 -1.893 -4.984 223 HB3 CYS 37 2HB CYS 37 -8.867 -0.321 -5.610 224 H SER 38 H SER 38 -11.325 1.342 -2.728 225 HA SER 38 HA SER 38 -11.813 3.652 -4.250 226 HB2 SER 38 1HB SER 38 -12.641 3.326 -1.939 227 HB3 SER 38 2HB SER 38 -10.989 3.477 -1.340 228 HG SER 38 HG SER 38 -12.087 5.506 -2.945 229 H ILE 39 H ILE 39 -8.967 2.747 -2.309 230 HA ILE 39 HA ILE 39 -7.444 5.012 -3.150 231 HB ILE 39 HB ILE 39 -6.536 2.444 -1.843 232 HG12 ILE 39 1HG1 ILE 39 -6.831 5.136 -0.529 233 HG13 ILE 39 2HG1 ILE 39 -8.192 4.025 -0.642 234 HG21 ILE 39 1HG2 ILE 39 -4.446 3.130 -2.122 235 HG22 ILE 39 2HG2 ILE 39 -5.025 4.516 -3.044 236 HG23 ILE 39 3HG2 ILE 39 -4.821 4.643 -1.297 237 HD11 ILE 39 1HD1 ILE 39 -7.341 3.546 1.435 238 HD12 ILE 39 2HD1 ILE 39 -6.549 2.329 0.434 239 HD13 ILE 39 3HD1 ILE 39 -5.669 3.777 0.922 240 H GLU 40 H GLU 40 -6.715 1.556 -3.645 241 HA GLU 40 HA GLU 40 -5.846 0.422 -5.418 242 HB2 GLU 40 1HB GLU 40 -7.751 1.533 -6.627 243 HB3 GLU 40 2HB GLU 40 -6.634 2.809 -7.092 244 HG2 GLU 40 1HG GLU 40 -5.779 0.059 -7.708 245 HG3 GLU 40 2HG GLU 40 -7.169 0.663 -8.608 246 H TRP 41 H TRP 41 -4.269 2.337 -3.832 247 HA TRP 41 HA TRP 41 -1.873 2.233 -5.379 248 HB2 TRP 41 1HB TRP 41 -3.317 4.835 -5.073 249 HB3 TRP 41 2HB TRP 41 -1.556 4.828 -5.031 250 HD1 TRP 41 HD TRP 41 -4.486 4.509 -7.400 251 HE1 TRP 41 1HE TRP 41 -3.615 4.388 -9.819 252 HE3 TRP 41 3HE TRP 41 0.505 3.960 -6.437 253 HZ2 TRP 41 2HZ TRP 41 -1.139 4.099 -11.143 254 HZ3 TRP 41 3HZ TRP 41 2.058 3.768 -8.336 255 HH2 TRP 41 HH TRP 41 1.251 3.835 -10.640 256 H PHE 42 H PHE 42 -0.401 1.660 -3.935 257 HA PHE 42 HA PHE 42 -0.333 3.022 -1.343 258 HB2 PHE 42 1HB PHE 42 -0.120 0.019 -1.645 259 HB3 PHE 42 2HB PHE 42 -0.022 0.929 -0.141 260 HD1 PHE 42 1HD PHE 42 -2.303 0.147 -2.963 261 HD2 PHE 42 2HD PHE 42 -1.938 1.363 1.100 262 HE1 PHE 42 1HE PHE 42 -4.739 -0.064 -2.685 263 HE2 PHE 42 2HE PHE 42 -4.373 1.153 1.385 264 HZ PHE 42 HZ PHE 42 -5.776 0.438 -0.508 265 H HIS 43 H HIS 43 1.748 2.214 -0.123 266 HA HIS 43 HA HIS 43 3.950 2.478 -2.044 267 HB2 HIS 43 1HB HIS 43 4.000 2.904 0.950 268 HB3 HIS 43 2HB HIS 43 5.282 3.301 -0.190 269 HD2 HIS 43 2HD HIS 43 4.433 5.413 -2.084 270 HE1 HIS 43 1HE HIS 43 1.748 7.051 0.763 271 HE2 HIS 43 2HE HIS 43 2.904 7.399 -1.447 272 H PHE 44 H PHE 44 5.782 1.151 -1.931 273 HA PHE 44 HA PHE 44 5.318 -1.558 -1.436 274 HB2 PHE 44 1HB PHE 44 7.791 0.066 -1.927 275 HB3 PHE 44 2HB PHE 44 7.931 -1.638 -1.506 276 HD1 PHE 44 2HD PHE 44 5.473 0.153 -3.655 277 HD2 PHE 44 1HD PHE 44 8.570 -2.757 -3.415 278 HE1 PHE 44 2HE PHE 44 5.078 -0.456 -6.006 279 HE2 PHE 44 1HE PHE 44 8.181 -3.370 -5.767 280 HZ PHE 44 HZ PHE 44 6.433 -2.220 -7.065 281 H ALA 45 H ALA 45 7.662 0.481 0.317 282 HA ALA 45 HA ALA 45 8.256 -1.167 2.399 283 HB1 ALA 45 1HB ALA 45 8.282 1.723 1.981 284 HB2 ALA 45 2HB ALA 45 8.152 1.250 3.676 285 HB3 ALA 45 3HB ALA 45 9.500 0.668 2.698 286 H CYS 46 H CYS 46 5.434 0.957 2.140 287 HA CYS 46 HA CYS 46 4.412 0.459 4.724 288 HB2 CYS 46 1HB CYS 46 3.259 1.526 2.172 289 HB3 CYS 46 2HB CYS 46 2.187 1.145 3.516 290 H VAL 47 H VAL 47 3.719 -1.024 1.574 291 HA VAL 47 HA VAL 47 2.006 -3.012 2.848 292 HB VAL 47 HB VAL 47 1.458 -3.761 0.608 293 HG11 VAL 47 1HG1 VAL 47 0.439 -1.653 1.648 294 HG12 VAL 47 2HG1 VAL 47 1.423 -0.762 0.486 295 HG13 VAL 47 3HG1 VAL 47 0.208 -1.908 -0.081 296 HG21 VAL 47 1HG2 VAL 47 3.938 -2.469 -0.050 297 HG22 VAL 47 2HG2 VAL 47 2.972 -3.587 -1.012 298 HG23 VAL 47 3HG2 VAL 47 2.641 -1.857 -1.075 299 H GLY 48 H GLY 48 4.820 -3.036 3.471 300 HA2 GLY 48 1HA GLY 48 6.709 -4.392 3.344 301 HA3 GLY 48 2HA GLY 48 5.485 -5.615 3.649 302 H LEU 49 H LEU 49 6.793 -3.734 0.917 303 HA LEU 49 HA LEU 49 6.737 -6.216 -0.669 304 HB2 LEU 49 1HB LEU 49 5.832 -3.471 -1.311 305 HB3 LEU 49 2HB LEU 49 6.648 -4.363 -2.593 306 HG LEU 49 HG LEU 49 4.132 -5.200 -1.154 307 HD11 LEU 49 1HD1 LEU 49 4.552 -4.385 -4.024 308 HD12 LEU 49 2HD1 LEU 49 3.883 -3.340 -2.771 309 HD13 LEU 49 3HD1 LEU 49 3.024 -4.804 -3.248 310 HD21 LEU 49 1HD2 LEU 49 4.435 -6.766 -3.404 311 HD22 LEU 49 2HD2 LEU 49 4.722 -7.269 -1.738 312 HD23 LEU 49 3HD2 LEU 49 6.063 -6.694 -2.730 313 H THR 50 H THR 50 8.888 -6.706 -0.175 314 HA THR 50 HA THR 50 11.082 -5.040 -0.226 315 HB THR 50 HB THR 50 12.417 -7.076 -0.871 316 HG1 THR 50 1HG THR 50 11.384 -8.921 -1.366 317 HG21 THR 50 1HG2 THR 50 11.591 -8.423 1.174 318 HG22 THR 50 2HG2 THR 50 10.449 -7.097 1.394 319 HG23 THR 50 3HG2 THR 50 12.184 -6.783 1.431 320 H THR 51 H THR 51 9.490 -6.661 -2.932 321 HA THR 51 HA THR 51 10.808 -4.808 -4.763 322 HB THR 51 HB THR 51 12.196 -6.885 -4.727 323 HG1 THR 51 1HG THR 51 10.885 -6.655 -7.230 324 HG21 THR 51 1HG2 THR 51 10.791 -8.687 -4.381 325 HG22 THR 51 2HG2 THR 51 11.062 -8.789 -6.120 326 HG23 THR 51 3HG2 THR 51 9.569 -8.084 -5.500 327 H LYS 52 H LYS 52 9.860 -5.034 -7.019 328 HA LYS 52 HA LYS 52 7.047 -4.776 -6.858 329 HB2 LYS 52 1HB LYS 52 8.572 -3.628 -8.512 330 HB3 LYS 52 2HB LYS 52 8.674 -5.159 -9.372 331 HG2 LYS 52 1HG LYS 52 6.205 -5.109 -9.636 332 HG3 LYS 52 2HG LYS 52 6.206 -3.498 -8.915 333 HD2 LYS 52 1HD LYS 52 7.793 -2.791 -10.725 334 HD3 LYS 52 2HD LYS 52 7.524 -4.361 -11.486 335 HE2 LYS 52 1HE LYS 52 5.335 -2.395 -10.831 336 HE3 LYS 52 2HE LYS 52 6.121 -2.511 -12.405 337 HZ1 LYS 52 1HZ LYS 52 4.179 -3.787 -12.565 338 HZ2 LYS 52 2HZ LYS 52 4.420 -4.527 -11.063 339 HZ3 LYS 52 3HZ LYS 52 5.419 -4.921 -12.371 340 HA PRO 53 HA PRO 53 6.131 -9.141 -7.129 341 HB2 PRO 53 1HB PRO 53 3.437 -8.849 -6.964 342 HB3 PRO 53 2HB PRO 53 4.502 -8.746 -5.557 343 HG2 PRO 53 1HG PRO 53 3.288 -6.542 -7.178 344 HG3 PRO 53 2HG PRO 53 3.446 -6.679 -5.417 345 HD2 PRO 53 1HD PRO 53 5.124 -5.174 -6.917 346 HD3 PRO 53 2HD PRO 53 5.648 -5.999 -5.435 347 H ARG 54 H ARG 54 6.601 -9.770 -9.193 348 HA ARG 54 HA ARG 54 5.426 -8.713 -11.525 349 HB2 ARG 54 1HB ARG 54 7.579 -10.124 -11.245 350 HB3 ARG 54 2HB ARG 54 6.505 -11.512 -11.348 351 HG2 ARG 54 1HG ARG 54 5.663 -10.363 -13.523 352 HG3 ARG 54 2HG ARG 54 7.198 -9.497 -13.434 353 HD2 ARG 54 1HD ARG 54 8.132 -11.945 -13.051 354 HD3 ARG 54 2HD ARG 54 6.659 -12.380 -13.917 355 HE ARG 54 HE ARG 54 7.670 -11.678 -15.830 356 HH11 ARG 54 2HH1 ARG 54 9.192 -10.081 -13.137 357 HH12 ARG 54 1HH1 ARG 54 10.382 -9.285 -14.113 358 HH21 ARG 54 2HH2 ARG 54 9.230 -10.635 -17.126 359 HH22 ARG 54 1HH2 ARG 54 10.402 -9.600 -16.382 360 H GLY 55 H GLY 55 3.253 -8.728 -11.707 361 HA2 GLY 55 1HA GLY 55 1.547 -10.263 -12.710 362 HA3 GLY 55 2HA GLY 55 1.890 -11.327 -11.354 363 H LYS 56 H LYS 56 -0.678 -10.601 -11.802 364 HA LYS 56 HA LYS 56 -1.834 -8.382 -10.855 365 HB2 LYS 56 1HB LYS 56 -2.604 -11.197 -10.064 366 HB3 LYS 56 2HB LYS 56 -3.643 -9.787 -9.900 367 HG2 LYS 56 1HG LYS 56 -3.240 -9.510 -12.447 368 HG3 LYS 56 2HG LYS 56 -2.758 -11.206 -12.373 369 HD2 LYS 56 1HD LYS 56 -5.022 -11.434 -11.038 370 HD3 LYS 56 2HD LYS 56 -5.427 -9.960 -11.922 371 HE2 LYS 56 1HE LYS 56 -4.352 -12.405 -13.298 372 HE3 LYS 56 2HE LYS 56 -6.074 -12.190 -12.986 373 HZ1 LYS 56 1HZ LYS 56 -6.113 -10.253 -14.324 374 HZ2 LYS 56 2HZ LYS 56 -5.307 -11.440 -15.219 375 HZ3 LYS 56 3HZ LYS 56 -4.427 -10.212 -14.458 376 H TRP 57 H TRP 57 -2.204 -7.333 -8.950 377 HA TRP 57 HA TRP 57 -1.165 -8.516 -6.480 378 HB2 TRP 57 1HB TRP 57 0.647 -7.124 -7.368 379 HB3 TRP 57 2HB TRP 57 -0.449 -5.749 -7.476 380 HD1 TRP 57 HD TRP 57 1.620 -7.742 -4.981 381 HE1 TRP 57 1HE TRP 57 1.663 -6.482 -2.737 382 HE3 TRP 57 3HE TRP 57 -1.850 -4.131 -6.010 383 HZ2 TRP 57 2HZ TRP 57 0.394 -4.253 -1.559 384 HZ3 TRP 57 3HZ TRP 57 -2.379 -2.474 -4.270 385 HH2 TRP 57 HH TRP 57 -1.279 -2.535 -2.091 386 H PHE 58 H PHE 58 -2.574 -8.314 -4.872 387 HA PHE 58 HA PHE 58 -4.620 -6.202 -5.069 388 HB2 PHE 58 1HB PHE 58 -4.837 -8.973 -3.877 389 HB3 PHE 58 2HB PHE 58 -6.086 -7.739 -3.757 390 HD1 PHE 58 1HD PHE 58 -4.088 -9.628 -6.261 391 HD2 PHE 58 2HD PHE 58 -7.726 -7.602 -5.381 392 HE1 PHE 58 1HE PHE 58 -5.018 -10.370 -8.415 393 HE2 PHE 58 2HE PHE 58 -8.663 -8.341 -7.532 394 HZ PHE 58 HZ PHE 58 -7.309 -9.728 -9.052 395 H CYS 59 H CYS 59 -4.459 -4.678 -3.578 396 HA CYS 59 HA CYS 59 -2.633 -4.508 -1.557 397 HB2 CYS 59 1HB CYS 59 -3.893 -2.694 -0.669 398 HB3 CYS 59 2HB CYS 59 -4.173 -2.685 -2.407 399 HA PRO 60 HA PRO 60 -3.811 -7.168 1.728 400 HB2 PRO 60 1HB PRO 60 -3.041 -5.719 3.891 401 HB3 PRO 60 2HB PRO 60 -1.891 -6.502 2.801 402 HG2 PRO 60 1HG PRO 60 -2.775 -3.643 2.888 403 HG3 PRO 60 2HG PRO 60 -1.144 -4.304 2.668 404 HD2 PRO 60 1HD PRO 60 -2.642 -3.405 0.599 405 HD3 PRO 60 2HD PRO 60 -1.486 -4.742 0.431 406 H ARG 61 H ARG 61 -5.619 -4.661 0.888 407 HA ARG 61 HA ARG 61 -7.343 -4.775 3.273 408 HB2 ARG 61 1HB ARG 61 -7.173 -2.656 1.123 409 HB3 ARG 61 2HB ARG 61 -8.322 -2.649 2.455 410 HG2 ARG 61 1HG ARG 61 -6.400 -2.593 4.031 411 HG3 ARG 61 2HG ARG 61 -5.328 -2.423 2.639 412 HD2 ARG 61 1HD ARG 61 -5.883 -0.264 3.719 413 HD3 ARG 61 2HD ARG 61 -6.370 -0.344 2.026 414 HE ARG 61 HE ARG 61 -8.108 -0.198 4.342 415 HH11 ARG 61 2HH1 ARG 61 -7.818 -0.833 0.931 416 HH12 ARG 61 1HH1 ARG 61 -9.498 -0.559 0.605 417 HH21 ARG 61 2HH2 ARG 61 -10.321 0.165 3.925 418 HH22 ARG 61 1HH2 ARG 61 -10.920 0.010 2.308 419 H CYS 62 H CYS 62 -7.153 -5.268 -0.165 420 HA CYS 62 HA CYS 62 -10.017 -5.739 -0.399 421 HB2 CYS 62 1HB CYS 62 -7.777 -5.839 -2.428 422 HB3 CYS 62 2HB CYS 62 -9.464 -6.175 -2.806 423 H SER 63 H SER 63 -6.984 -7.544 -0.821 424 HA SER 63 HA SER 63 -8.076 -10.020 -1.467 425 HB2 SER 63 1HB SER 63 -5.633 -9.364 -1.542 426 HB3 SER 63 2HB SER 63 -5.586 -9.623 0.202 427 HG SER 63 HG SER 63 -5.871 -11.477 -1.875 428 H GLN 64 H GLN 64 -6.915 -8.994 1.749 429 HA GLN 64 HA GLN 64 -8.269 -11.185 3.031 430 HB2 GLN 64 1HB GLN 64 -7.424 -10.159 5.125 431 HB3 GLN 64 2HB GLN 64 -6.158 -10.444 3.938 432 HG2 GLN 64 1HG GLN 64 -5.572 -8.351 4.523 433 HG3 GLN 64 2HG GLN 64 -6.764 -7.932 3.294 434 HE21 GLN 64 1HE2 GLN 64 -6.981 -8.991 6.675 435 HE22 GLN 64 2HE2 GLN 64 -7.965 -7.674 7.203 436 H GLU 65 H GLU 65 -10.250 -10.025 1.765 437 HA GLU 65 HA GLU 65 -11.666 -8.458 3.821 438 HB2 GLU 65 1HB GLU 65 -11.084 -7.245 1.656 439 HB3 GLU 65 2HB GLU 65 -12.234 -8.313 0.864 440 HG2 GLU 65 1HG GLU 65 -13.121 -6.064 1.497 441 HG3 GLU 65 2HG GLU 65 -14.046 -7.436 2.106 442 H SER 66 H SER 66 -12.036 -10.783 1.169 443 HA SER 66 HA SER 66 -14.402 -11.855 2.560 444 HB2 SER 66 1HB SER 66 -14.812 -10.598 0.338 445 HB3 SER 66 2HB SER 66 -14.073 -12.004 -0.430 446 HG SER 66 HG SER 66 -15.853 -13.064 -0.118 447 H GLY 67 H GLY 67 -14.831 -14.151 2.120 448 HA2 GLY 67 1HA GLY 67 -12.308 -15.630 2.057 449 HA3 GLY 67 2HA GLY 67 -13.856 -16.242 2.621 450 HA PRO 68 HA PRO 68 -13.207 -18.255 -1.429 451 HB2 PRO 68 1HB PRO 68 -14.532 -20.524 -0.744 452 HB3 PRO 68 2HB PRO 68 -12.832 -20.247 -0.346 453 HG2 PRO 68 1HG PRO 68 -15.259 -19.918 1.376 454 HG3 PRO 68 2HG PRO 68 -13.688 -20.636 1.781 455 HD2 PRO 68 1HD PRO 68 -14.367 -18.115 2.500 456 HD3 PRO 68 2HD PRO 68 -12.697 -18.583 2.122 457 H SER 69 H SER 69 -14.606 -16.771 -2.467 458 HA SER 69 HA SER 69 -17.386 -16.650 -2.103 459 HB2 SER 69 1HB SER 69 -15.976 -14.949 -3.306 460 HB3 SER 69 2HB SER 69 -15.898 -16.062 -4.671 461 HG SER 69 HG SER 69 -18.436 -15.567 -3.709 462 H SER 70 H SER 70 -19.103 -17.555 -3.243 463 HA SER 70 HA SER 70 -18.712 -20.252 -4.087 464 HB2 SER 70 1HB SER 70 -21.154 -18.467 -4.187 465 HB3 SER 70 2HB SER 70 -21.164 -20.189 -4.566 466 HG SER 70 HG SER 70 -20.484 -20.598 -2.438 467 H GLY 71 H GLY 71 -19.472 -21.120 -6.165 468 HA2 GLY 71 1HA GLY 71 -19.803 -19.445 -8.436 469 HA3 GLY 71 2HA GLY 71 -18.146 -20.024 -8.340 Start of MODEL 13 1 H1 GLY 1 H GLY 1 18.217 3.111 12.843 2 HA2 GLY 1 1HA GLY 1 17.289 2.173 10.445 3 HA3 GLY 1 2HA GLY 1 15.866 2.199 11.476 4 H SER 2 H SER 2 15.093 4.201 12.269 5 HA SER 2 HA SER 2 15.900 6.467 10.586 6 HB2 SER 2 1HB SER 2 13.347 5.901 12.104 7 HB3 SER 2 2HB SER 2 13.680 7.432 11.295 8 HG SER 2 HG SER 2 13.797 6.323 9.337 9 H SER 3 H SER 3 15.371 8.659 11.755 10 HA SER 3 HA SER 3 17.090 8.722 14.086 11 HB2 SER 3 1HB SER 3 15.831 10.866 12.376 12 HB3 SER 3 2HB SER 3 16.717 11.242 13.854 13 HG SER 3 HG SER 3 18.547 10.284 12.946 14 H GLY 4 H GLY 4 13.854 10.021 13.308 15 HA2 GLY 4 1HA GLY 4 12.849 9.197 15.888 16 HA3 GLY 4 2HA GLY 4 13.030 10.937 15.719 17 H SER 5 H SER 5 11.239 11.949 15.145 18 HA SER 5 HA SER 5 9.382 10.593 13.308 19 HB2 SER 5 1HB SER 5 8.736 10.766 15.865 20 HB3 SER 5 2HB SER 5 8.303 12.416 15.421 21 HG SER 5 HG SER 5 7.360 10.096 14.086 22 H SER 6 H SER 6 9.819 11.734 11.492 23 HA SER 6 HA SER 6 8.987 14.514 11.452 24 HB2 SER 6 1HB SER 6 11.805 13.631 11.031 25 HB3 SER 6 2HB SER 6 11.180 14.917 9.999 26 HG SER 6 HG SER 6 11.271 14.889 12.836 27 H GLY 7 H GLY 7 8.125 15.128 9.515 28 HA2 GLY 7 1HA GLY 7 8.611 14.315 6.982 29 HA3 GLY 7 2HA GLY 7 7.613 13.013 7.612 30 H ASP 8 H ASP 8 5.444 13.283 7.753 31 HA ASP 8 HA ASP 8 4.372 15.959 7.159 32 HB2 ASP 8 1HB ASP 8 4.090 14.854 5.106 33 HB3 ASP 8 2HB ASP 8 3.682 13.326 5.882 34 H MET 9 H MET 9 4.062 16.132 9.458 35 HA MET 9 HA MET 9 2.372 14.295 10.852 36 HB2 MET 9 1HB MET 9 3.764 16.831 11.464 37 HB3 MET 9 2HB MET 9 2.316 16.508 12.408 38 HG2 MET 9 1HG MET 9 3.830 15.497 13.744 39 HG3 MET 9 2HG MET 9 3.474 14.142 12.676 40 HE1 MET 9 1HE MET 9 5.944 14.616 14.592 41 HE2 MET 9 2HE MET 9 7.470 14.992 13.792 42 HE3 MET 9 3HE MET 9 6.334 16.285 14.177 43 HA PRO 10 HA PRO 10 -0.924 17.797 10.506 44 HB2 PRO 10 1HB PRO 10 -0.340 19.930 8.933 45 HB3 PRO 10 2HB PRO 10 0.070 19.863 10.651 46 HG2 PRO 10 1HG PRO 10 1.805 19.340 8.268 47 HG3 PRO 10 2HG PRO 10 2.178 20.246 9.747 48 HD2 PRO 10 1HD PRO 10 3.007 17.699 9.351 49 HD3 PRO 10 2HD PRO 10 2.608 18.335 10.960 50 H VAL 11 H VAL 11 -2.463 16.913 9.287 51 HA VAL 11 HA VAL 11 -1.933 16.240 6.505 52 HB VAL 11 HB VAL 11 -4.109 15.092 6.572 53 HG11 VAL 11 1HG1 VAL 11 -1.770 14.323 7.772 54 HG12 VAL 11 2HG1 VAL 11 -2.961 14.044 9.044 55 HG13 VAL 11 3HG1 VAL 11 -3.155 13.276 7.468 56 HG21 VAL 11 1HG2 VAL 11 -4.500 16.756 8.858 57 HG22 VAL 11 2HG2 VAL 11 -5.657 15.705 8.042 58 HG23 VAL 11 3HG2 VAL 11 -4.652 15.067 9.343 59 H ASP 12 H ASP 12 -3.845 16.588 4.963 60 HA ASP 12 HA ASP 12 -5.625 18.738 5.338 61 HB2 ASP 12 1HB ASP 12 -2.938 19.390 4.225 62 HB3 ASP 12 2HB ASP 12 -4.340 20.167 3.493 63 HA PRO 13 HA PRO 13 -7.387 17.025 1.705 64 HB2 PRO 13 1HB PRO 13 -8.657 19.170 0.629 65 HB3 PRO 13 2HB PRO 13 -9.220 18.355 2.093 66 HG2 PRO 13 1HG PRO 13 -7.617 20.869 1.821 67 HG3 PRO 13 2HG PRO 13 -8.980 20.522 2.902 68 HD2 PRO 13 1HD PRO 13 -6.405 20.448 3.735 69 HD3 PRO 13 2HD PRO 13 -7.658 19.387 4.410 70 H ASN 14 H ASN 14 -5.209 19.708 1.430 71 HA ASN 14 HA ASN 14 -5.007 20.275 -1.204 72 HB2 ASN 14 1HB ASN 14 -2.526 19.642 0.385 73 HB3 ASN 14 2HB ASN 14 -2.745 20.874 -0.854 74 HD21 ASN 14 1HD2 ASN 14 -4.827 22.287 -0.187 75 HD22 ASN 14 2HD2 ASN 14 -4.681 22.978 1.389 76 H GLU 15 H GLU 15 -3.400 17.501 0.356 77 HA GLU 15 HA GLU 15 -3.184 16.255 -2.306 78 HB2 GLU 15 1HB GLU 15 -1.354 16.267 0.054 79 HB3 GLU 15 2HB GLU 15 -1.382 14.846 -0.981 80 HG2 GLU 15 1HG GLU 15 0.366 16.219 -1.763 81 HG3 GLU 15 2HG GLU 15 -0.952 16.376 -2.923 82 HA PRO 16 HA PRO 16 -6.064 13.273 -0.731 83 HB2 PRO 16 1HB PRO 16 -5.902 11.547 -2.820 84 HB3 PRO 16 2HB PRO 16 -6.792 13.072 -2.901 85 HG2 PRO 16 1HG PRO 16 -4.045 12.427 -3.900 86 HG3 PRO 16 2HG PRO 16 -5.331 13.360 -4.687 87 HD2 PRO 16 1HD PRO 16 -3.243 14.534 -3.424 88 HD3 PRO 16 2HD PRO 16 -4.860 15.265 -3.479 89 H THR 17 H THR 17 -5.945 11.400 0.415 90 HA THR 17 HA THR 17 -3.304 10.126 0.581 91 HB THR 17 HB THR 17 -4.222 9.149 2.737 92 HG1 THR 17 1HG THR 17 -6.188 11.186 2.409 93 HG21 THR 17 1HG2 THR 17 -2.814 10.792 3.362 94 HG22 THR 17 2HG2 THR 17 -4.287 11.695 3.716 95 HG23 THR 17 3HG2 THR 17 -3.458 11.927 2.177 96 H TYR 18 H TYR 18 -3.008 8.046 0.040 97 HA TYR 18 HA TYR 18 -5.390 6.488 -0.718 98 HB2 TYR 18 1HB TYR 18 -2.579 6.166 -1.784 99 HB3 TYR 18 2HB TYR 18 -4.027 5.348 -2.360 100 HD1 TYR 18 1HD TYR 18 -2.689 8.803 -1.877 101 HD2 TYR 18 2HD TYR 18 -5.108 6.201 -4.217 102 HE1 TYR 18 1HE TYR 18 -3.057 10.615 -3.500 103 HE2 TYR 18 2HE TYR 18 -5.482 8.005 -5.847 104 HH TYR 18 HH TYR 18 -5.276 10.935 -5.426 105 H CYS 19 H CYS 19 -1.988 5.784 0.093 106 HA CYS 19 HA CYS 19 -2.252 3.240 1.025 107 HB2 CYS 19 1HB CYS 19 -0.106 4.486 0.814 108 HB3 CYS 19 2HB CYS 19 -0.497 5.350 2.297 109 H LEU 20 H LEU 20 -2.170 2.415 3.288 110 HA LEU 20 HA LEU 20 -4.480 3.210 4.704 111 HB2 LEU 20 1HB LEU 20 -2.174 1.471 5.568 112 HB3 LEU 20 2HB LEU 20 -3.705 1.620 6.429 113 HG LEU 20 HG LEU 20 -4.622 0.854 4.026 114 HD11 LEU 20 1HD1 LEU 20 -2.565 0.610 2.898 115 HD12 LEU 20 2HD1 LEU 20 -3.094 -1.024 3.297 116 HD13 LEU 20 3HD1 LEU 20 -1.834 -0.247 4.255 117 HD21 LEU 20 1HD2 LEU 20 -4.444 -1.525 4.998 118 HD22 LEU 20 2HD2 LEU 20 -5.329 -0.305 5.914 119 HD23 LEU 20 3HD2 LEU 20 -3.685 -0.740 6.384 120 H CYS 21 H CYS 21 -1.042 3.835 5.186 121 HA CYS 21 HA CYS 21 -1.116 4.968 7.720 122 HB2 CYS 21 1HB CYS 21 0.933 6.211 7.010 123 HB3 CYS 21 2HB CYS 21 0.993 4.486 6.661 124 H HIS 22 H HIS 22 -2.596 6.063 4.903 125 HA HIS 22 HA HIS 22 -3.783 7.934 4.386 126 HB2 HIS 22 1HB HIS 22 -3.476 8.304 7.359 127 HB3 HIS 22 2HB HIS 22 -4.321 9.487 6.365 128 HD1 HIS 22 1HD HIS 22 -6.370 8.361 4.889 129 HD2 HIS 22 2HD HIS 22 -5.081 6.332 8.278 130 HE1 HIS 22 1HE HIS 22 -8.237 6.783 5.479 131 HE2 HIS 22 2HE HIS 22 -7.470 5.627 7.581 132 H GLN 23 H GLN 23 -1.160 8.027 3.695 133 HA GLN 23 HA GLN 23 -0.340 10.777 4.358 134 HB2 GLN 23 1HB GLN 23 1.325 8.408 3.499 135 HB3 GLN 23 2HB GLN 23 1.947 10.048 3.633 136 HG2 GLN 23 1HG GLN 23 0.934 9.830 6.070 137 HG3 GLN 23 2HG GLN 23 1.202 8.117 5.751 138 HE21 GLN 23 1HE2 GLN 23 2.978 7.540 6.778 139 HE22 GLN 23 2HE2 GLN 23 4.482 8.389 6.761 140 H VAL 24 H VAL 24 0.966 11.822 2.553 141 HA VAL 24 HA VAL 24 -0.655 11.849 0.191 142 HB VAL 24 HB VAL 24 0.713 13.656 -0.571 143 HG11 VAL 24 1HG1 VAL 24 0.825 14.274 2.315 144 HG12 VAL 24 2HG1 VAL 24 0.079 15.168 0.988 145 HG13 VAL 24 3HG1 VAL 24 -0.741 13.768 1.681 146 HG21 VAL 24 1HG2 VAL 24 2.678 12.636 1.450 147 HG22 VAL 24 2HG2 VAL 24 2.920 12.967 -0.265 148 HG23 VAL 24 3HG2 VAL 24 2.744 14.302 0.875 149 H SER 25 H SER 25 0.317 11.752 -2.008 150 HA SER 25 HA SER 25 1.423 9.247 -2.520 151 HB2 SER 25 1HB SER 25 0.176 10.751 -4.145 152 HB3 SER 25 2HB SER 25 1.689 11.632 -4.357 153 HG SER 25 HG SER 25 2.453 9.256 -4.719 154 H TYR 26 H TYR 26 3.414 8.466 -2.364 155 HA TYR 26 HA TYR 26 5.748 9.946 -3.016 156 HB2 TYR 26 1HB TYR 26 6.737 10.307 -0.923 157 HB3 TYR 26 2HB TYR 26 5.066 10.802 -0.679 158 HD1 TYR 26 1HD TYR 26 7.279 7.819 -0.301 159 HD2 TYR 26 2HD TYR 26 3.901 9.966 1.142 160 HE1 TYR 26 1HE TYR 26 7.101 6.256 1.589 161 HE2 TYR 26 2HE TYR 26 3.714 8.409 3.037 162 HH TYR 26 HH TYR 26 4.465 5.885 3.424 163 H GLY 27 H GLY 27 7.744 8.671 -2.642 164 HA2 GLY 27 1HA GLY 27 8.912 6.713 -2.905 165 HA3 GLY 27 2HA GLY 27 7.800 6.045 -1.720 166 H GLU 28 H GLU 28 8.631 4.274 -3.451 167 HA GLU 28 HA GLU 28 7.311 4.116 -5.925 168 HB2 GLU 28 1HB GLU 28 8.652 2.143 -4.126 169 HB3 GLU 28 2HB GLU 28 7.694 1.546 -5.474 170 HG2 GLU 28 1HG GLU 28 9.112 2.441 -7.056 171 HG3 GLU 28 2HG GLU 28 9.770 3.636 -5.940 172 H MET 29 H MET 29 5.364 3.325 -6.549 173 HA MET 29 HA MET 29 3.616 2.168 -4.492 174 HB2 MET 29 1HB MET 29 2.726 4.267 -6.475 175 HB3 MET 29 2HB MET 29 1.749 3.531 -5.212 176 HG2 MET 29 1HG MET 29 3.251 4.539 -3.525 177 HG3 MET 29 2HG MET 29 4.108 5.356 -4.830 178 HE1 MET 29 1HE MET 29 0.928 4.560 -3.212 179 HE2 MET 29 2HE MET 29 0.698 6.130 -2.444 180 HE3 MET 29 3HE MET 29 -0.261 5.691 -3.858 181 H ILE 30 H ILE 30 1.626 1.168 -5.495 182 HA ILE 30 HA ILE 30 2.151 0.148 -8.200 183 HB ILE 30 HB ILE 30 1.745 -2.098 -7.616 184 HG12 ILE 30 1HG1 ILE 30 -0.086 -1.385 -5.923 185 HG13 ILE 30 2HG1 ILE 30 0.799 -2.878 -5.626 186 HG21 ILE 30 1HG2 ILE 30 3.992 -1.451 -7.100 187 HG22 ILE 30 2HG2 ILE 30 3.502 -0.825 -5.527 188 HG23 ILE 30 3HG2 ILE 30 3.436 -2.558 -5.845 189 HD11 ILE 30 1HD1 ILE 30 1.903 -2.022 -3.823 190 HD12 ILE 30 2HD1 ILE 30 1.806 -0.362 -4.411 191 HD13 ILE 30 3HD1 ILE 30 0.382 -1.136 -3.717 192 H GLY 31 H GLY 31 0.212 -0.977 -9.126 193 HA2 GLY 31 1HA GLY 31 -2.232 0.429 -8.248 194 HA3 GLY 31 2HA GLY 31 -1.887 -0.013 -9.913 195 H CYS 32 H CYS 32 -3.371 -0.946 -7.010 196 HA CYS 32 HA CYS 32 -3.389 -3.659 -6.935 197 HB2 CYS 32 1HB CYS 32 -4.675 -2.097 -5.436 198 HB3 CYS 32 2HB CYS 32 -5.904 -2.002 -6.692 199 H ASP 33 H ASP 33 -4.124 -5.317 -8.129 200 HA ASP 33 HA ASP 33 -4.862 -4.904 -10.826 201 HB2 ASP 33 1HB ASP 33 -4.974 -7.375 -9.087 202 HB3 ASP 33 2HB ASP 33 -5.292 -7.380 -10.820 203 H ASN 34 H ASN 34 -6.706 -5.570 -7.909 204 HA ASN 34 HA ASN 34 -9.159 -6.245 -9.035 205 HB2 ASN 34 1HB ASN 34 -8.501 -6.311 -6.582 206 HB3 ASN 34 2HB ASN 34 -8.838 -4.583 -6.535 207 HD21 ASN 34 1HD2 ASN 34 -10.281 -5.768 -4.829 208 HD22 ASN 34 2HD2 ASN 34 -11.894 -6.086 -5.359 209 HA PRO 35 HA PRO 35 -10.090 -2.399 -11.103 210 HB2 PRO 35 1HB PRO 35 -12.455 -3.230 -12.144 211 HB3 PRO 35 2HB PRO 35 -10.891 -3.692 -12.825 212 HG2 PRO 35 1HG PRO 35 -12.694 -5.236 -11.001 213 HG3 PRO 35 2HG PRO 35 -11.796 -5.796 -12.425 214 HD2 PRO 35 1HD PRO 35 -10.930 -6.224 -9.895 215 HD3 PRO 35 2HD PRO 35 -9.817 -5.987 -11.258 216 H ASP 36 H ASP 36 -12.104 -4.097 -8.806 217 HA ASP 36 HA ASP 36 -14.045 -2.011 -8.524 218 HB2 ASP 36 1HB ASP 36 -13.396 -4.467 -6.899 219 HB3 ASP 36 2HB ASP 36 -14.646 -3.325 -6.416 220 H CYS 37 H CYS 37 -11.117 -2.974 -6.809 221 HA CYS 37 HA CYS 37 -11.131 -1.616 -4.504 222 HB2 CYS 37 1HB CYS 37 -9.174 -2.825 -5.660 223 HB3 CYS 37 2HB CYS 37 -8.790 -1.258 -6.363 224 H SER 38 H SER 38 -10.623 0.487 -3.763 225 HA SER 38 HA SER 38 -11.358 2.588 -5.679 226 HB2 SER 38 1HB SER 38 -11.406 2.643 -2.652 227 HB3 SER 38 2HB SER 38 -11.961 3.936 -3.716 228 HG SER 38 HG SER 38 -13.500 2.412 -4.555 229 H ILE 39 H ILE 39 -9.027 1.799 -3.135 230 HA ILE 39 HA ILE 39 -7.495 4.178 -3.433 231 HB ILE 39 HB ILE 39 -6.697 1.518 -2.246 232 HG12 ILE 39 1HG1 ILE 39 -7.551 4.040 -0.820 233 HG13 ILE 39 2HG1 ILE 39 -8.664 2.733 -1.209 234 HG21 ILE 39 1HG2 ILE 39 -5.409 4.134 -1.589 235 HG22 ILE 39 2HG2 ILE 39 -4.784 2.497 -1.393 236 HG23 ILE 39 3HG2 ILE 39 -4.886 3.215 -3.001 237 HD11 ILE 39 1HD1 ILE 39 -7.621 1.257 0.266 238 HD12 ILE 39 2HD1 ILE 39 -6.172 2.258 0.382 239 HD13 ILE 39 3HD1 ILE 39 -7.676 2.792 1.132 240 H GLU 40 H GLU 40 -6.940 0.820 -4.492 241 HA GLU 40 HA GLU 40 -5.392 -0.042 -5.956 242 HB2 GLU 40 1HB GLU 40 -5.973 2.175 -7.845 243 HB3 GLU 40 2HB GLU 40 -5.986 0.438 -8.112 244 HG2 GLU 40 1HG GLU 40 -8.084 0.597 -6.493 245 HG3 GLU 40 2HG GLU 40 -8.137 2.230 -7.155 246 H TRP 41 H TRP 41 -4.191 1.732 -4.098 247 HA TRP 41 HA TRP 41 -1.726 2.231 -5.436 248 HB2 TRP 41 1HB TRP 41 -3.488 4.566 -4.724 249 HB3 TRP 41 2HB TRP 41 -1.735 4.727 -4.785 250 HD1 TRP 41 HD TRP 41 -4.738 4.895 -6.946 251 HE1 TRP 41 1HE TRP 41 -4.055 5.071 -9.421 252 HE3 TRP 41 3HE TRP 41 0.218 3.722 -6.505 253 HZ2 TRP 41 2HZ TRP 41 -1.723 4.755 -10.980 254 HZ3 TRP 41 3HZ TRP 41 1.606 3.681 -8.536 255 HH2 TRP 41 HH TRP 41 0.653 4.186 -10.727 256 H PHE 42 H PHE 42 -0.210 1.762 -3.996 257 HA PHE 42 HA PHE 42 -0.489 2.660 -1.237 258 HB2 PHE 42 1HB PHE 42 -0.028 -0.238 -1.978 259 HB3 PHE 42 2HB PHE 42 0.071 0.421 -0.348 260 HD1 PHE 42 1HD PHE 42 -2.272 0.057 -3.212 261 HD2 PHE 42 2HD PHE 42 -1.808 0.453 1.001 262 HE1 PHE 42 1HE PHE 42 -4.683 -0.337 -2.913 263 HE2 PHE 42 2HE PHE 42 -4.218 0.059 1.307 264 HZ PHE 42 HZ PHE 42 -5.658 -0.338 -0.651 265 H HIS 43 H HIS 43 1.608 1.765 -0.006 266 HA HIS 43 HA HIS 43 3.880 2.503 -1.725 267 HB2 HIS 43 1HB HIS 43 3.738 2.661 1.290 268 HB3 HIS 43 2HB HIS 43 4.991 3.329 0.248 269 HD2 HIS 43 2HD HIS 43 3.582 5.276 -1.697 270 HE1 HIS 43 1HE HIS 43 1.221 6.639 1.554 271 HE2 HIS 43 2HE HIS 43 1.961 7.086 -0.812 272 H PHE 44 H PHE 44 5.526 1.122 -2.006 273 HA PHE 44 HA PHE 44 5.380 -1.558 -1.606 274 HB2 PHE 44 1HB PHE 44 7.702 0.305 -1.884 275 HB3 PHE 44 2HB PHE 44 8.014 -1.387 -1.510 276 HD1 PHE 44 2HD PHE 44 5.539 0.283 -3.744 277 HD2 PHE 44 1HD PHE 44 8.787 -2.446 -3.393 278 HE1 PHE 44 2HE PHE 44 5.319 -0.281 -6.129 279 HE2 PHE 44 1HE PHE 44 8.572 -3.013 -5.778 280 HZ PHE 44 HZ PHE 44 6.836 -1.931 -7.149 281 H ALA 45 H ALA 45 7.524 0.448 0.417 282 HA ALA 45 HA ALA 45 8.159 -1.309 2.374 283 HB1 ALA 45 1HB ALA 45 8.165 0.691 3.949 284 HB2 ALA 45 2HB ALA 45 9.136 0.824 2.483 285 HB3 ALA 45 3HB ALA 45 7.570 1.629 2.579 286 H CYS 46 H CYS 46 5.260 0.766 2.428 287 HA CYS 46 HA CYS 46 4.164 -0.140 4.809 288 HB2 CYS 46 1HB CYS 46 3.058 1.104 2.336 289 HB3 CYS 46 2HB CYS 46 1.919 0.401 3.480 290 H VAL 47 H VAL 47 3.467 -1.309 1.514 291 HA VAL 47 HA VAL 47 1.969 -3.559 2.541 292 HB VAL 47 HB VAL 47 1.702 -4.202 0.181 293 HG11 VAL 47 1HG1 VAL 47 1.160 -1.284 0.160 294 HG12 VAL 47 2HG1 VAL 47 0.100 -2.637 -0.242 295 HG13 VAL 47 3HG1 VAL 47 0.433 -2.246 1.446 296 HG21 VAL 47 1HG2 VAL 47 3.570 -3.646 -1.008 297 HG22 VAL 47 2HG2 VAL 47 2.536 -2.282 -1.436 298 HG23 VAL 47 3HG2 VAL 47 3.768 -2.097 -0.188 299 H GLY 48 H GLY 48 4.774 -3.381 3.294 300 HA2 GLY 48 1HA GLY 48 6.769 -4.581 3.160 301 HA3 GLY 48 2HA GLY 48 5.633 -5.899 3.403 302 H LEU 49 H LEU 49 6.692 -3.822 0.701 303 HA LEU 49 HA LEU 49 6.862 -6.256 -0.951 304 HB2 LEU 49 1HB LEU 49 5.828 -3.548 -1.478 305 HB3 LEU 49 2HB LEU 49 6.788 -4.262 -2.771 306 HG LEU 49 HG LEU 49 4.273 -5.416 -1.567 307 HD11 LEU 49 1HD1 LEU 49 4.840 -4.158 -4.247 308 HD12 LEU 49 2HD1 LEU 49 3.798 -3.520 -2.976 309 HD13 LEU 49 3HD1 LEU 49 3.351 -5.002 -3.821 310 HD21 LEU 49 1HD2 LEU 49 6.407 -6.715 -2.882 311 HD22 LEU 49 2HD2 LEU 49 5.066 -6.628 -4.025 312 HD23 LEU 49 3HD2 LEU 49 4.831 -7.375 -2.444 313 H THR 50 H THR 50 9.028 -6.613 -0.239 314 HA THR 50 HA THR 50 11.154 -4.902 -0.222 315 HB THR 50 HB THR 50 11.295 -7.716 -1.317 316 HG1 THR 50 1HG THR 50 10.903 -6.714 1.269 317 HG21 THR 50 1HG2 THR 50 13.488 -7.039 0.340 318 HG22 THR 50 2HG2 THR 50 13.269 -5.717 -0.807 319 HG23 THR 50 3HG2 THR 50 13.492 -7.365 -1.393 320 H THR 51 H THR 51 9.743 -6.509 -3.037 321 HA THR 51 HA THR 51 11.032 -4.536 -4.759 322 HB THR 51 HB THR 51 11.611 -6.376 -6.409 323 HG1 THR 51 1HG THR 51 12.074 -8.416 -5.105 324 HG21 THR 51 1HG2 THR 51 13.399 -7.021 -4.228 325 HG22 THR 51 2HG2 THR 51 13.058 -5.291 -4.287 326 HG23 THR 51 3HG2 THR 51 13.712 -6.111 -5.705 327 H LYS 52 H LYS 52 10.134 -4.562 -6.977 328 HA LYS 52 HA LYS 52 7.385 -4.377 -7.023 329 HB2 LYS 52 1HB LYS 52 9.243 -3.659 -8.755 330 HB3 LYS 52 2HB LYS 52 8.811 -5.180 -9.525 331 HG2 LYS 52 1HG LYS 52 6.543 -4.468 -9.803 332 HG3 LYS 52 2HG LYS 52 6.838 -3.009 -8.854 333 HD2 LYS 52 1HD LYS 52 8.567 -2.385 -10.593 334 HD3 LYS 52 2HD LYS 52 7.925 -3.705 -11.574 335 HE2 LYS 52 1HE LYS 52 6.850 -1.711 -12.294 336 HE3 LYS 52 2HE LYS 52 5.667 -2.631 -11.366 337 HZ1 LYS 52 1HZ LYS 52 7.143 -0.852 -9.704 338 HZ2 LYS 52 2HZ LYS 52 5.471 -0.980 -9.917 339 HZ3 LYS 52 3HZ LYS 52 6.385 -0.016 -10.964 340 HA PRO 53 HA PRO 53 6.199 -8.669 -6.904 341 HB2 PRO 53 1HB PRO 53 3.526 -8.222 -7.062 342 HB3 PRO 53 2HB PRO 53 4.453 -7.989 -5.575 343 HG2 PRO 53 1HG PRO 53 3.546 -5.959 -7.579 344 HG3 PRO 53 2HG PRO 53 3.522 -5.871 -5.808 345 HD2 PRO 53 1HD PRO 53 5.430 -4.663 -7.301 346 HD3 PRO 53 2HD PRO 53 5.754 -5.311 -5.680 347 H ARG 54 H ARG 54 5.696 -10.191 -8.415 348 HA ARG 54 HA ARG 54 5.377 -9.257 -11.156 349 HB2 ARG 54 1HB ARG 54 6.336 -11.746 -9.856 350 HB3 ARG 54 2HB ARG 54 5.568 -11.921 -11.429 351 HG2 ARG 54 1HG ARG 54 7.864 -10.057 -10.874 352 HG3 ARG 54 2HG ARG 54 8.042 -11.694 -11.507 353 HD2 ARG 54 1HD ARG 54 6.160 -9.875 -12.904 354 HD3 ARG 54 2HD ARG 54 7.885 -9.560 -13.088 355 HE ARG 54 HE ARG 54 6.402 -11.823 -14.124 356 HH11 ARG 54 2HH1 ARG 54 9.518 -10.442 -13.415 357 HH12 ARG 54 1HH1 ARG 54 10.369 -11.468 -14.520 358 HH21 ARG 54 2HH2 ARG 54 7.512 -13.180 -15.583 359 HH22 ARG 54 1HH2 ARG 54 9.227 -13.025 -15.754 360 H GLY 55 H GLY 55 4.025 -10.991 -12.522 361 HA2 GLY 55 1HA GLY 55 1.860 -11.497 -13.123 362 HA3 GLY 55 2HA GLY 55 1.831 -12.318 -11.569 363 H LYS 56 H LYS 56 0.059 -11.801 -10.488 364 HA LYS 56 HA LYS 56 -0.987 -9.062 -10.712 365 HB2 LYS 56 1HB LYS 56 -3.133 -9.945 -10.045 366 HB3 LYS 56 2HB LYS 56 -2.510 -10.907 -11.379 367 HG2 LYS 56 1HG LYS 56 -1.701 -12.564 -9.678 368 HG3 LYS 56 2HG LYS 56 -2.595 -11.644 -8.465 369 HD2 LYS 56 1HD LYS 56 -4.663 -12.160 -9.430 370 HD3 LYS 56 2HD LYS 56 -3.929 -12.638 -10.963 371 HE2 LYS 56 1HE LYS 56 -3.548 -14.115 -8.363 372 HE3 LYS 56 2HE LYS 56 -4.755 -14.541 -9.575 373 HZ1 LYS 56 1HZ LYS 56 -2.383 -14.346 -10.947 374 HZ2 LYS 56 2HZ LYS 56 -3.191 -15.770 -10.523 375 HZ3 LYS 56 3HZ LYS 56 -1.981 -15.152 -9.515 376 H TRP 57 H TRP 57 -1.263 -7.798 -8.938 377 HA TRP 57 HA TRP 57 -0.500 -8.951 -6.336 378 HB2 TRP 57 1HB TRP 57 1.324 -7.561 -7.162 379 HB3 TRP 57 2HB TRP 57 0.213 -6.220 -7.428 380 HD1 TRP 57 HD TRP 57 2.132 -8.018 -4.674 381 HE1 TRP 57 1HE TRP 57 2.011 -6.613 -2.521 382 HE3 TRP 57 3HE TRP 57 -1.289 -4.527 -6.173 383 HZ2 TRP 57 2HZ TRP 57 0.646 -4.328 -1.582 384 HZ3 TRP 57 3HZ TRP 57 -1.949 -2.766 -4.587 385 HH2 TRP 57 HH TRP 57 -1.001 -2.670 -2.339 386 H PHE 58 H PHE 58 -2.096 -8.853 -4.913 387 HA PHE 58 HA PHE 58 -4.188 -6.820 -5.270 388 HB2 PHE 58 1HB PHE 58 -4.258 -9.431 -3.743 389 HB3 PHE 58 2HB PHE 58 -5.599 -8.300 -3.880 390 HD1 PHE 58 2HD PHE 58 -6.518 -7.817 -6.198 391 HD2 PHE 58 1HD PHE 58 -3.912 -11.075 -5.355 392 HE1 PHE 58 2HE PHE 58 -7.247 -8.932 -8.267 393 HE2 PHE 58 1HE PHE 58 -4.637 -12.194 -7.423 394 HZ PHE 58 HZ PHE 58 -6.307 -11.123 -8.881 395 H CYS 59 H CYS 59 -4.171 -5.143 -3.943 396 HA CYS 59 HA CYS 59 -2.398 -4.658 -1.913 397 HB2 CYS 59 1HB CYS 59 -3.718 -2.797 -1.316 398 HB3 CYS 59 2HB CYS 59 -4.049 -3.048 -3.027 399 HA PRO 60 HA PRO 60 -3.566 -7.006 1.606 400 HB2 PRO 60 1HB PRO 60 -2.906 -5.307 3.618 401 HB3 PRO 60 2HB PRO 60 -1.700 -6.157 2.644 402 HG2 PRO 60 1HG PRO 60 -2.687 -3.341 2.403 403 HG3 PRO 60 2HG PRO 60 -1.029 -3.959 2.293 404 HD2 PRO 60 1HD PRO 60 -2.502 -3.343 0.106 405 HD3 PRO 60 2HD PRO 60 -1.296 -4.645 0.109 406 H ARG 61 H ARG 61 -5.267 -4.325 0.635 407 HA ARG 61 HA ARG 61 -7.085 -4.331 2.929 408 HB2 ARG 61 1HB ARG 61 -6.860 -2.515 0.527 409 HB3 ARG 61 2HB ARG 61 -8.153 -2.396 1.713 410 HG2 ARG 61 1HG ARG 61 -5.372 -2.360 2.729 411 HG3 ARG 61 2HG ARG 61 -5.944 -0.937 1.856 412 HD2 ARG 61 1HD ARG 61 -7.194 -2.194 4.295 413 HD3 ARG 61 2HD ARG 61 -6.351 -0.648 4.215 414 HE ARG 61 HE ARG 61 -8.328 -0.274 2.456 415 HH11 ARG 61 2HH1 ARG 61 -8.335 -1.560 5.691 416 HH12 ARG 61 1HH1 ARG 61 -9.941 -1.014 6.045 417 HH21 ARG 61 2HH2 ARG 61 -10.443 0.450 2.909 418 HH22 ARG 61 1HH2 ARG 61 -11.139 0.128 4.461 419 H CYS 62 H CYS 62 -6.806 -5.464 -0.311 420 HA CYS 62 HA CYS 62 -9.673 -5.985 -0.526 421 HB2 CYS 62 1HB CYS 62 -7.390 -6.285 -2.481 422 HB3 CYS 62 2HB CYS 62 -9.029 -6.829 -2.826 423 H SER 63 H SER 63 -6.626 -7.808 -0.859 424 HA SER 63 HA SER 63 -7.573 -10.353 -1.078 425 HB2 SER 63 1HB SER 63 -5.230 -10.065 -1.194 426 HB3 SER 63 2HB SER 63 -5.162 -9.296 0.391 427 HG SER 63 HG SER 63 -5.573 -12.020 -0.233 428 H GLN 64 H GLN 64 -7.414 -8.389 1.829 429 HA GLN 64 HA GLN 64 -8.230 -10.547 3.559 430 HB2 GLN 64 1HB GLN 64 -6.764 -8.596 4.248 431 HB3 GLN 64 2HB GLN 64 -8.213 -7.601 4.206 432 HG2 GLN 64 1HG GLN 64 -7.952 -8.197 6.446 433 HG3 GLN 64 2HG GLN 64 -9.219 -9.261 5.838 434 HE21 GLN 64 1HE2 GLN 64 -7.498 -9.632 8.128 435 HE22 GLN 64 2HE2 GLN 64 -6.629 -11.101 7.860 436 H GLU 65 H GLU 65 -10.024 -10.228 1.449 437 HA GLU 65 HA GLU 65 -12.351 -8.893 2.629 438 HB2 GLU 65 1HB GLU 65 -13.394 -9.167 0.424 439 HB3 GLU 65 2HB GLU 65 -11.855 -8.325 0.309 440 HG2 GLU 65 1HG GLU 65 -10.767 -10.315 -0.489 441 HG3 GLU 65 2HG GLU 65 -12.237 -11.257 -0.245 442 H SER 66 H SER 66 -11.251 -12.031 1.443 443 HA SER 66 HA SER 66 -13.727 -13.274 2.396 444 HB2 SER 66 1HB SER 66 -12.594 -13.730 0.079 445 HB3 SER 66 2HB SER 66 -11.533 -14.784 1.014 446 HG SER 66 HG SER 66 -13.696 -15.601 1.862 447 H GLY 67 H GLY 67 -13.750 -14.902 3.939 448 HA2 GLY 67 1HA GLY 67 -12.072 -14.696 6.115 449 HA3 GLY 67 2HA GLY 67 -13.039 -16.118 5.755 450 HA PRO 68 HA PRO 68 -8.348 -16.870 5.350 451 HB2 PRO 68 1HB PRO 68 -7.945 -18.194 7.686 452 HB3 PRO 68 2HB PRO 68 -7.757 -16.444 7.529 453 HG2 PRO 68 1HG PRO 68 -10.071 -18.012 8.602 454 HG3 PRO 68 2HG PRO 68 -9.332 -16.531 9.238 455 HD2 PRO 68 1HD PRO 68 -11.621 -16.512 7.792 456 HD3 PRO 68 2HD PRO 68 -10.447 -15.181 7.740 457 H SER 69 H SER 69 -7.917 -18.622 4.174 458 HA SER 69 HA SER 69 -9.660 -20.958 4.419 459 HB2 SER 69 1HB SER 69 -7.644 -20.228 2.280 460 HB3 SER 69 2HB SER 69 -8.709 -21.634 2.241 461 HG SER 69 HG SER 69 -9.230 -19.099 1.520 462 H SER 70 H SER 70 -8.608 -23.122 4.108 463 HA SER 70 HA SER 70 -6.105 -23.235 5.659 464 HB2 SER 70 1HB SER 70 -6.835 -25.228 6.680 465 HB3 SER 70 2HB SER 70 -8.277 -24.214 6.649 466 HG SER 70 HG SER 70 -9.189 -25.548 5.287 467 H GLY 71 H GLY 71 -4.371 -24.065 4.693 468 HA2 GLY 71 1HA GLY 71 -4.511 -26.228 2.829 469 HA3 GLY 71 2HA GLY 71 -4.200 -24.698 2.021 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -10.969 23.616 -7.306 2 HA2 GLY 1 1HA GLY 1 -11.505 22.382 -9.898 3 HA3 GLY 1 2HA GLY 1 -11.217 24.116 -9.894 4 H SER 2 H SER 2 -9.280 24.282 -10.871 5 HA SER 2 HA SER 2 -7.022 22.908 -9.577 6 HB2 SER 2 1HB SER 2 -5.972 22.513 -11.711 7 HB3 SER 2 2HB SER 2 -7.609 21.863 -11.782 8 HG SER 2 HG SER 2 -7.599 23.027 -13.566 9 H SER 3 H SER 3 -5.477 24.238 -8.903 10 HA SER 3 HA SER 3 -4.890 26.695 -10.326 11 HB2 SER 3 1HB SER 3 -5.084 28.061 -8.216 12 HB3 SER 3 2HB SER 3 -6.624 27.516 -8.881 13 HG SER 3 HG SER 3 -6.772 25.995 -7.295 14 H GLY 4 H GLY 4 -2.755 26.817 -10.456 15 HA2 GLY 4 1HA GLY 4 -0.985 25.132 -9.097 16 HA3 GLY 4 2HA GLY 4 -0.526 26.593 -9.959 17 H SER 5 H SER 5 0.382 25.383 -7.370 18 HA SER 5 HA SER 5 -0.297 27.589 -5.548 19 HB2 SER 5 1HB SER 5 -0.754 25.433 -4.571 20 HB3 SER 5 2HB SER 5 0.851 24.844 -5.003 21 HG SER 5 HG SER 5 0.136 26.031 -2.774 22 H SER 6 H SER 6 1.136 29.059 -6.608 23 HA SER 6 HA SER 6 3.888 28.574 -6.978 24 HB2 SER 6 1HB SER 6 2.444 31.207 -6.589 25 HB3 SER 6 2HB SER 6 4.085 31.025 -7.209 26 HG SER 6 HG SER 6 3.299 30.088 -9.031 27 H GLY 7 H GLY 7 5.689 29.458 -5.805 28 HA2 GLY 7 1HA GLY 7 6.713 30.368 -3.879 29 HA3 GLY 7 2HA GLY 7 5.179 30.238 -3.031 30 H ASP 8 H ASP 8 6.455 29.317 -1.292 31 HA ASP 8 HA ASP 8 6.917 26.440 -1.716 32 HB2 ASP 8 1HB ASP 8 8.712 26.718 0.122 33 HB3 ASP 8 2HB ASP 8 9.108 27.240 -1.514 34 H MET 9 H MET 9 5.150 25.602 -0.757 35 HA MET 9 HA MET 9 4.606 26.421 2.022 36 HB2 MET 9 1HB MET 9 2.725 25.611 -0.182 37 HB3 MET 9 2HB MET 9 2.253 25.509 1.509 38 HG2 MET 9 1HG MET 9 1.430 27.564 0.802 39 HG3 MET 9 2HG MET 9 2.912 27.963 1.667 40 HE1 MET 9 1HE MET 9 3.198 29.998 1.042 41 HE2 MET 9 2HE MET 9 4.663 30.010 0.060 42 HE3 MET 9 3HE MET 9 3.177 30.726 -0.565 43 HA PRO 10 HA PRO 10 5.574 22.278 3.171 44 HB2 PRO 10 1HB PRO 10 4.328 22.225 5.583 45 HB3 PRO 10 2HB PRO 10 5.840 23.096 5.302 46 HG2 PRO 10 1HG PRO 10 3.038 24.146 5.390 47 HG3 PRO 10 2HG PRO 10 4.513 24.834 6.094 48 HD2 PRO 10 1HD PRO 10 3.451 25.732 3.771 49 HD3 PRO 10 2HD PRO 10 5.198 25.740 4.088 50 H VAL 11 H VAL 11 4.256 20.410 4.389 51 HA VAL 11 HA VAL 11 2.417 19.384 2.604 52 HB VAL 11 HB VAL 11 1.763 17.791 4.358 53 HG11 VAL 11 1HG1 VAL 11 3.906 16.771 4.665 54 HG12 VAL 11 2HG1 VAL 11 3.900 17.560 3.086 55 HG13 VAL 11 3HG1 VAL 11 4.729 18.315 4.447 56 HG21 VAL 11 1HG2 VAL 11 1.777 19.512 6.196 57 HG22 VAL 11 2HG2 VAL 11 2.514 17.963 6.606 58 HG23 VAL 11 3HG2 VAL 11 3.533 19.351 6.229 59 H ASP 12 H ASP 12 0.106 18.734 3.223 60 HA ASP 12 HA ASP 12 -1.395 20.500 4.886 61 HB2 ASP 12 1HB ASP 12 -2.773 21.227 2.717 62 HB3 ASP 12 2HB ASP 12 -1.426 22.179 3.334 63 HA PRO 13 HA PRO 13 -4.309 17.229 4.682 64 HB2 PRO 13 1HB PRO 13 -6.669 18.537 4.980 65 HB3 PRO 13 2HB PRO 13 -5.512 18.331 6.300 66 HG2 PRO 13 1HG PRO 13 -5.966 20.704 4.532 67 HG3 PRO 13 2HG PRO 13 -5.701 20.648 6.285 68 HD2 PRO 13 1HD PRO 13 -3.736 21.285 4.534 69 HD3 PRO 13 2HD PRO 13 -3.417 20.435 6.059 70 H ASN 14 H ASN 14 -4.546 19.833 2.407 71 HA ASN 14 HA ASN 14 -6.664 18.829 0.823 72 HB2 ASN 14 1HB ASN 14 -4.517 20.865 0.475 73 HB3 ASN 14 2HB ASN 14 -5.323 20.273 -0.975 74 HD21 ASN 14 1HD2 ASN 14 -5.950 22.570 -1.079 75 HD22 ASN 14 2HD2 ASN 14 -7.386 23.059 -0.252 76 H GLU 15 H GLU 15 -3.168 18.364 0.750 77 HA GLU 15 HA GLU 15 -2.757 17.150 -1.652 78 HB2 GLU 15 1HB GLU 15 -1.558 16.803 1.045 79 HB3 GLU 15 2HB GLU 15 -1.183 15.579 -0.160 80 HG2 GLU 15 1HG GLU 15 -0.062 17.068 -1.521 81 HG3 GLU 15 2HG GLU 15 -0.870 18.471 -0.824 82 HA PRO 16 HA PRO 16 -5.372 13.590 -1.696 83 HB2 PRO 16 1HB PRO 16 -4.229 12.329 -3.811 84 HB3 PRO 16 2HB PRO 16 -5.271 13.746 -3.986 85 HG2 PRO 16 1HG PRO 16 -2.282 13.580 -3.997 86 HG3 PRO 16 2HG PRO 16 -3.354 14.519 -5.052 87 HD2 PRO 16 1HD PRO 16 -2.043 15.622 -2.956 88 HD3 PRO 16 2HD PRO 16 -3.638 16.188 -3.489 89 H THR 17 H THR 17 -5.286 11.860 -0.421 90 HA THR 17 HA THR 17 -2.702 10.476 -0.094 91 HB THR 17 HB THR 17 -3.741 9.722 2.148 92 HG1 THR 17 1HG THR 17 -5.286 11.194 2.969 93 HG21 THR 17 1HG2 THR 17 -1.887 11.107 2.338 94 HG22 THR 17 2HG2 THR 17 -3.136 12.038 3.164 95 HG23 THR 17 3HG2 THR 17 -2.678 12.448 1.511 96 H TYR 18 H TYR 18 -2.628 8.333 -0.451 97 HA TYR 18 HA TYR 18 -5.177 6.966 -1.018 98 HB2 TYR 18 1HB TYR 18 -2.458 6.368 -2.200 99 HB3 TYR 18 2HB TYR 18 -3.972 5.571 -2.614 100 HD1 TYR 18 1HD TYR 18 -1.980 8.625 -2.982 101 HD2 TYR 18 2HD TYR 18 -5.615 6.671 -4.017 102 HE1 TYR 18 1HE TYR 18 -2.373 10.301 -4.739 103 HE2 TYR 18 2HE TYR 18 -6.018 8.340 -5.778 104 HH TYR 18 HH TYR 18 -3.604 10.626 -6.731 105 H CYS 19 H CYS 19 -1.826 5.925 -0.397 106 HA CYS 19 HA CYS 19 -2.250 3.511 0.735 107 HB2 CYS 19 1HB CYS 19 -0.008 4.257 0.437 108 HB3 CYS 19 2HB CYS 19 -0.246 5.625 1.520 109 H LEU 20 H LEU 20 -2.207 2.780 3.006 110 HA LEU 20 HA LEU 20 -4.369 3.804 4.462 111 HB2 LEU 20 1HB LEU 20 -2.104 2.009 5.312 112 HB3 LEU 20 2HB LEU 20 -3.521 2.344 6.306 113 HG LEU 20 HG LEU 20 -4.778 1.444 4.145 114 HD11 LEU 20 1HD1 LEU 20 -2.984 1.026 2.704 115 HD12 LEU 20 2HD1 LEU 20 -3.412 -0.559 3.346 116 HD13 LEU 20 3HD1 LEU 20 -2.009 0.299 3.981 117 HD21 LEU 20 1HD2 LEU 20 -3.796 0.258 6.615 118 HD22 LEU 20 2HD2 LEU 20 -4.088 -0.935 5.349 119 HD23 LEU 20 3HD2 LEU 20 -5.385 0.148 5.858 120 H CYS 21 H CYS 21 -0.874 4.183 4.941 121 HA CYS 21 HA CYS 21 -0.897 5.599 7.323 122 HB2 CYS 21 1HB CYS 21 1.298 6.406 6.721 123 HB3 CYS 21 2HB CYS 21 1.139 4.741 6.170 124 H HIS 22 H HIS 22 -2.156 6.523 4.326 125 HA HIS 22 HA HIS 22 -3.180 8.421 3.598 126 HB2 HIS 22 1HB HIS 22 -2.764 9.396 6.432 127 HB3 HIS 22 2HB HIS 22 -3.840 10.118 5.240 128 HD1 HIS 22 1HD HIS 22 -5.720 8.253 4.317 129 HD2 HIS 22 2HD HIS 22 -4.056 7.701 8.083 130 HE1 HIS 22 1HE HIS 22 -7.302 6.723 5.534 131 HE2 HIS 22 2HE HIS 22 -6.318 6.472 7.838 132 H GLN 23 H GLN 23 -0.713 8.269 2.742 133 HA GLN 23 HA GLN 23 0.493 10.908 3.252 134 HB2 GLN 23 1HB GLN 23 1.714 8.244 2.612 135 HB3 GLN 23 2HB GLN 23 2.567 9.726 2.201 136 HG2 GLN 23 1HG GLN 23 1.530 9.420 4.967 137 HG3 GLN 23 2HG GLN 23 2.952 8.493 4.493 138 HE21 GLN 23 1HE2 GLN 23 4.635 9.852 3.309 139 HE22 GLN 23 2HE2 GLN 23 4.985 11.396 4.003 140 H VAL 24 H VAL 24 1.930 11.551 1.262 141 HA VAL 24 HA VAL 24 0.117 11.658 -1.006 142 HB VAL 24 HB VAL 24 1.536 13.384 -1.891 143 HG11 VAL 24 1HG1 VAL 24 -0.024 13.954 -0.042 144 HG12 VAL 24 2HG1 VAL 24 1.322 13.797 1.088 145 HG13 VAL 24 3HG1 VAL 24 1.359 15.041 -0.162 146 HG21 VAL 24 1HG2 VAL 24 3.719 12.587 -1.503 147 HG22 VAL 24 2HG2 VAL 24 3.588 14.071 -0.559 148 HG23 VAL 24 3HG2 VAL 24 3.466 12.504 0.240 149 H SER 25 H SER 25 1.059 11.479 -3.230 150 HA SER 25 HA SER 25 2.072 8.918 -3.674 151 HB2 SER 25 1HB SER 25 0.845 10.486 -5.307 152 HB3 SER 25 2HB SER 25 2.433 11.181 -5.633 153 HG SER 25 HG SER 25 1.897 8.407 -5.825 154 H TYR 26 H TYR 26 3.958 8.367 -2.716 155 HA TYR 26 HA TYR 26 6.373 9.646 -3.738 156 HB2 TYR 26 1HB TYR 26 7.297 10.202 -1.689 157 HB3 TYR 26 2HB TYR 26 5.601 10.587 -1.416 158 HD1 TYR 26 1HD TYR 26 8.156 7.942 -0.875 159 HD2 TYR 26 2HD TYR 26 4.417 9.572 0.335 160 HE1 TYR 26 1HE TYR 26 8.136 6.436 1.069 161 HE2 TYR 26 2HE TYR 26 4.387 8.071 2.283 162 HH TYR 26 HH TYR 26 6.476 5.433 2.603 163 H GLY 27 H GLY 27 8.353 8.364 -3.139 164 HA2 GLY 27 1HA GLY 27 9.469 6.366 -3.361 165 HA3 GLY 27 2HA GLY 27 8.388 5.824 -2.087 166 H GLU 28 H GLU 28 8.977 3.811 -3.489 167 HA GLU 28 HA GLU 28 7.704 3.444 -5.979 168 HB2 GLU 28 1HB GLU 28 8.721 1.532 -3.889 169 HB3 GLU 28 2HB GLU 28 7.938 0.962 -5.356 170 HG2 GLU 28 1HG GLU 28 10.360 2.744 -5.318 171 HG3 GLU 28 2HG GLU 28 10.418 0.988 -5.456 172 H MET 29 H MET 29 5.673 2.926 -6.521 173 HA MET 29 HA MET 29 3.835 2.039 -4.407 174 HB2 MET 29 1HB MET 29 3.352 4.240 -6.417 175 HB3 MET 29 2HB MET 29 2.075 3.496 -5.464 176 HG2 MET 29 1HG MET 29 3.399 4.176 -3.417 177 HG3 MET 29 2HG MET 29 4.379 5.159 -4.503 178 HE1 MET 29 1HE MET 29 0.636 4.252 -3.993 179 HE2 MET 29 2HE MET 29 1.056 4.983 -2.444 180 HE3 MET 29 3HE MET 29 -0.072 5.799 -3.529 181 H ILE 30 H ILE 30 1.718 1.244 -5.400 182 HA ILE 30 HA ILE 30 2.093 0.063 -8.051 183 HB ILE 30 HB ILE 30 1.662 -2.141 -7.406 184 HG12 ILE 30 1HG1 ILE 30 -0.201 -1.546 -5.841 185 HG13 ILE 30 2HG1 ILE 30 0.838 -2.840 -5.254 186 HG21 ILE 30 1HG2 ILE 30 3.304 -2.605 -5.559 187 HG22 ILE 30 2HG2 ILE 30 3.919 -1.622 -6.886 188 HG23 ILE 30 3HG2 ILE 30 3.462 -0.860 -5.363 189 HD11 ILE 30 1HD1 ILE 30 0.743 0.016 -4.346 190 HD12 ILE 30 2HD1 ILE 30 0.413 -1.444 -3.413 191 HD13 ILE 30 3HD1 ILE 30 2.060 -1.078 -3.926 192 H GLY 31 H GLY 31 0.080 -0.867 -8.929 193 HA2 GLY 31 1HA GLY 31 -2.263 0.597 -7.887 194 HA3 GLY 31 2HA GLY 31 -2.001 0.231 -9.585 195 H CYS 32 H CYS 32 -3.256 -0.881 -6.591 196 HA CYS 32 HA CYS 32 -3.438 -3.547 -6.656 197 HB2 CYS 32 1HB CYS 32 -4.661 -1.986 -5.092 198 HB3 CYS 32 2HB CYS 32 -5.911 -1.842 -6.324 199 H ASP 33 H ASP 33 -4.615 -5.163 -7.676 200 HA ASP 33 HA ASP 33 -5.204 -4.697 -10.433 201 HB2 ASP 33 1HB ASP 33 -6.075 -7.165 -10.184 202 HB3 ASP 33 2HB ASP 33 -4.349 -6.820 -10.112 203 H ASN 34 H ASN 34 -7.160 -5.479 -7.577 204 HA ASN 34 HA ASN 34 -9.638 -5.778 -8.727 205 HB2 ASN 34 1HB ASN 34 -9.015 -6.010 -6.275 206 HB3 ASN 34 2HB ASN 34 -9.193 -4.262 -6.154 207 HD21 ASN 34 1HD2 ASN 34 -10.936 -4.181 -4.848 208 HD22 ASN 34 2HD2 ASN 34 -12.496 -4.791 -5.273 209 HA PRO 35 HA PRO 35 -10.292 -1.808 -10.626 210 HB2 PRO 35 1HB PRO 35 -12.811 -2.319 -11.499 211 HB3 PRO 35 2HB PRO 35 -11.370 -2.962 -12.295 212 HG2 PRO 35 1HG PRO 35 -13.218 -4.299 -10.357 213 HG3 PRO 35 2HG PRO 35 -12.502 -4.943 -11.846 214 HD2 PRO 35 1HD PRO 35 -11.518 -5.518 -9.390 215 HD3 PRO 35 2HD PRO 35 -10.485 -5.399 -10.829 216 H ASP 36 H ASP 36 -12.457 -3.299 -8.291 217 HA ASP 36 HA ASP 36 -14.050 -0.985 -7.827 218 HB2 ASP 36 1HB ASP 36 -14.678 -3.388 -7.294 219 HB3 ASP 36 2HB ASP 36 -13.612 -3.265 -5.897 220 H CYS 37 H CYS 37 -11.209 -2.377 -6.244 221 HA CYS 37 HA CYS 37 -10.908 -1.040 -3.956 222 HB2 CYS 37 1HB CYS 37 -9.199 -2.500 -5.217 223 HB3 CYS 37 2HB CYS 37 -8.633 -0.992 -5.928 224 H SER 38 H SER 38 -11.413 0.976 -3.426 225 HA SER 38 HA SER 38 -11.493 3.132 -5.252 226 HB2 SER 38 1HB SER 38 -12.848 2.944 -3.138 227 HB3 SER 38 2HB SER 38 -11.382 3.327 -2.236 228 HG SER 38 HG SER 38 -11.606 5.349 -2.763 229 H ILE 39 H ILE 39 -9.153 2.172 -2.777 230 HA ILE 39 HA ILE 39 -7.459 4.430 -3.116 231 HB ILE 39 HB ILE 39 -6.844 1.709 -1.958 232 HG12 ILE 39 1HG1 ILE 39 -7.325 4.277 -0.457 233 HG13 ILE 39 2HG1 ILE 39 -8.647 3.196 -0.885 234 HG21 ILE 39 1HG2 ILE 39 -5.237 3.928 -1.011 235 HG22 ILE 39 2HG2 ILE 39 -4.739 2.344 -1.602 236 HG23 ILE 39 3HG2 ILE 39 -5.041 3.655 -2.742 237 HD11 ILE 39 1HD1 ILE 39 -6.760 1.544 0.290 238 HD12 ILE 39 2HD1 ILE 39 -6.737 3.014 1.264 239 HD13 ILE 39 3HD1 ILE 39 -8.250 2.142 1.019 240 H GLU 40 H GLU 40 -6.827 1.014 -3.941 241 HA GLU 40 HA GLU 40 -5.432 0.082 -5.491 242 HB2 GLU 40 1HB GLU 40 -7.406 0.933 -6.839 243 HB3 GLU 40 2HB GLU 40 -6.404 2.309 -7.279 244 HG2 GLU 40 1HG GLU 40 -4.771 0.785 -8.286 245 HG3 GLU 40 2HG GLU 40 -5.805 -0.581 -7.870 246 H TRP 41 H TRP 41 -4.094 1.839 -3.787 247 HA TRP 41 HA TRP 41 -1.724 2.319 -5.273 248 HB2 TRP 41 1HB TRP 41 -3.486 4.656 -4.610 249 HB3 TRP 41 2HB TRP 41 -1.735 4.852 -4.636 250 HD1 TRP 41 HD TRP 41 -4.702 4.843 -6.873 251 HE1 TRP 41 1HE TRP 41 -3.962 4.995 -9.334 252 HE3 TRP 41 3HE TRP 41 0.292 3.929 -6.277 253 HZ2 TRP 41 2HZ TRP 41 -1.577 4.759 -10.825 254 HZ3 TRP 41 3HZ TRP 41 1.734 3.909 -8.270 255 HH2 TRP 41 HH TRP 41 0.817 4.315 -10.497 256 H PHE 42 H PHE 42 -0.186 1.784 -3.885 257 HA PHE 42 HA PHE 42 -0.296 2.807 -1.148 258 HB2 PHE 42 1HB PHE 42 0.221 -0.106 -1.778 259 HB3 PHE 42 2HB PHE 42 0.217 0.634 -0.181 260 HD1 PHE 42 1HD PHE 42 -1.939 -0.127 -3.096 261 HD2 PHE 42 2HD PHE 42 -1.757 0.811 1.052 262 HE1 PHE 42 1HE PHE 42 -4.343 -0.609 -2.885 263 HE2 PHE 42 2HE PHE 42 -4.160 0.329 1.270 264 HZ PHE 42 HZ PHE 42 -5.456 -0.383 -0.700 265 H HIS 43 H HIS 43 1.850 2.049 0.009 266 HA HIS 43 HA HIS 43 4.036 2.665 -1.861 267 HB2 HIS 43 1HB HIS 43 3.931 3.063 1.136 268 HB3 HIS 43 2HB HIS 43 5.257 3.535 0.077 269 HD2 HIS 43 2HD HIS 43 4.140 5.435 -2.043 270 HE1 HIS 43 1HE HIS 43 1.653 7.186 0.916 271 HE2 HIS 43 2HE HIS 43 2.594 7.410 -1.410 272 H PHE 44 H PHE 44 5.638 1.246 -2.163 273 HA PHE 44 HA PHE 44 5.531 -1.394 -1.565 274 HB2 PHE 44 1HB PHE 44 7.837 0.438 -2.090 275 HB3 PHE 44 2HB PHE 44 8.160 -1.233 -1.642 276 HD1 PHE 44 2HD PHE 44 5.608 0.378 -3.836 277 HD2 PHE 44 1HD PHE 44 8.775 -2.444 -3.487 278 HE1 PHE 44 2HE PHE 44 5.246 -0.312 -6.170 279 HE2 PHE 44 1HE PHE 44 8.418 -3.138 -5.821 280 HZ PHE 44 HZ PHE 44 6.651 -2.073 -7.165 281 H ALA 45 H ALA 45 7.711 0.799 0.216 282 HA ALA 45 HA ALA 45 8.463 -0.858 2.249 283 HB1 ALA 45 1HB ALA 45 9.582 1.058 2.550 284 HB2 ALA 45 2HB ALA 45 8.266 2.041 1.906 285 HB3 ALA 45 3HB ALA 45 8.226 1.506 3.586 286 H CYS 46 H CYS 46 5.461 0.983 2.001 287 HA CYS 46 HA CYS 46 4.521 0.387 4.611 288 HB2 CYS 46 1HB CYS 46 3.286 1.453 2.101 289 HB3 CYS 46 2HB CYS 46 2.237 0.933 3.416 290 H VAL 47 H VAL 47 4.127 -1.161 1.467 291 HA VAL 47 HA VAL 47 2.488 -3.264 2.684 292 HB VAL 47 HB VAL 47 2.089 -4.040 0.385 293 HG11 VAL 47 1HG1 VAL 47 0.480 -2.525 1.223 294 HG12 VAL 47 2HG1 VAL 47 1.547 -1.141 0.979 295 HG13 VAL 47 3HG1 VAL 47 0.857 -1.980 -0.411 296 HG21 VAL 47 1HG2 VAL 47 3.854 -1.714 -0.365 297 HG22 VAL 47 2HG2 VAL 47 4.150 -3.424 -0.679 298 HG23 VAL 47 3HG2 VAL 47 2.831 -2.593 -1.502 299 H GLY 48 H GLY 48 5.395 -2.961 3.156 300 HA2 GLY 48 1HA GLY 48 7.364 -4.181 3.014 301 HA3 GLY 48 2HA GLY 48 6.260 -5.495 3.391 302 H LEU 49 H LEU 49 7.303 -3.573 0.575 303 HA LEU 49 HA LEU 49 7.346 -6.080 -0.974 304 HB2 LEU 49 1HB LEU 49 6.312 -3.383 -1.615 305 HB3 LEU 49 2HB LEU 49 7.149 -4.239 -2.909 306 HG LEU 49 HG LEU 49 4.702 -5.198 -1.426 307 HD11 LEU 49 1HD1 LEU 49 3.712 -3.792 -2.868 308 HD12 LEU 49 2HD1 LEU 49 4.042 -5.060 -4.049 309 HD13 LEU 49 3HD1 LEU 49 5.136 -3.684 -3.903 310 HD21 LEU 49 1HD2 LEU 49 5.195 -6.663 -3.792 311 HD22 LEU 49 2HD2 LEU 49 5.199 -7.242 -2.126 312 HD23 LEU 49 3HD2 LEU 49 6.691 -6.649 -2.859 313 H THR 50 H THR 50 9.470 -6.612 -0.843 314 HA THR 50 HA THR 50 11.637 -4.848 -0.835 315 HB THR 50 HB THR 50 13.038 -6.771 -1.403 316 HG1 THR 50 1HG THR 50 12.097 -8.721 -2.010 317 HG21 THR 50 1HG2 THR 50 12.816 -7.553 0.678 318 HG22 THR 50 2HG2 THR 50 11.223 -8.222 0.328 319 HG23 THR 50 3HG2 THR 50 11.383 -6.537 0.819 320 H THR 51 H THR 51 9.981 -6.453 -3.512 321 HA THR 51 HA THR 51 11.170 -4.523 -5.352 322 HB THR 51 HB THR 51 11.174 -7.455 -6.056 323 HG1 THR 51 1HG THR 51 13.016 -5.946 -4.612 324 HG21 THR 51 1HG2 THR 51 11.371 -6.421 -8.070 325 HG22 THR 51 2HG2 THR 51 13.063 -6.319 -7.584 326 HG23 THR 51 3HG2 THR 51 11.997 -4.931 -7.366 327 H LYS 52 H LYS 52 10.041 -4.371 -7.388 328 HA LYS 52 HA LYS 52 7.280 -4.314 -7.168 329 HB2 LYS 52 1HB LYS 52 8.732 -3.124 -8.873 330 HB3 LYS 52 2HB LYS 52 8.764 -4.633 -9.776 331 HG2 LYS 52 1HG LYS 52 6.243 -4.532 -9.795 332 HG3 LYS 52 2HG LYS 52 6.395 -2.886 -9.176 333 HD2 LYS 52 1HD LYS 52 7.601 -2.193 -11.124 334 HD3 LYS 52 2HD LYS 52 7.720 -3.856 -11.705 335 HE2 LYS 52 1HE LYS 52 5.098 -2.437 -11.286 336 HE3 LYS 52 2HE LYS 52 5.969 -2.419 -12.819 337 HZ1 LYS 52 1HZ LYS 52 5.107 -4.381 -13.309 338 HZ2 LYS 52 2HZ LYS 52 4.228 -4.372 -11.864 339 HZ3 LYS 52 3HZ LYS 52 5.768 -5.070 -11.912 340 HA PRO 53 HA PRO 53 6.317 -8.648 -7.513 341 HB2 PRO 53 1HB PRO 53 3.620 -8.343 -7.422 342 HB3 PRO 53 2HB PRO 53 4.648 -8.239 -5.987 343 HG2 PRO 53 1HG PRO 53 3.488 -6.037 -7.651 344 HG3 PRO 53 2HG PRO 53 3.598 -6.167 -5.885 345 HD2 PRO 53 1HD PRO 53 5.322 -4.675 -7.347 346 HD3 PRO 53 2HD PRO 53 5.802 -5.496 -5.848 347 H ARG 54 H ARG 54 5.854 -9.981 -9.188 348 HA ARG 54 HA ARG 54 5.071 -8.718 -11.714 349 HB2 ARG 54 1HB ARG 54 6.689 -11.100 -10.974 350 HB3 ARG 54 2HB ARG 54 5.786 -11.180 -12.481 351 HG2 ARG 54 1HG ARG 54 7.545 -8.837 -11.880 352 HG3 ARG 54 2HG ARG 54 8.217 -10.337 -12.522 353 HD2 ARG 54 1HD ARG 54 5.841 -9.172 -13.875 354 HD3 ARG 54 2HD ARG 54 7.397 -8.376 -14.103 355 HE ARG 54 HE ARG 54 8.176 -10.260 -15.242 356 HH11 ARG 54 2HH1 ARG 54 4.926 -10.706 -14.078 357 HH12 ARG 54 1HH1 ARG 54 4.619 -12.089 -15.076 358 HH21 ARG 54 2HH2 ARG 54 7.784 -12.080 -16.561 359 HH22 ARG 54 1HH2 ARG 54 6.246 -12.870 -16.487 360 H GLY 55 H GLY 55 2.957 -8.778 -12.115 361 HA2 GLY 55 1HA GLY 55 1.194 -10.296 -12.938 362 HA3 GLY 55 2HA GLY 55 1.517 -11.291 -11.526 363 H LYS 56 H LYS 56 -0.875 -11.013 -11.328 364 HA LYS 56 HA LYS 56 -1.987 -8.502 -10.633 365 HB2 LYS 56 1HB LYS 56 -3.921 -9.795 -9.860 366 HB3 LYS 56 2HB LYS 56 -3.368 -10.354 -11.433 367 HG2 LYS 56 1HG LYS 56 -2.207 -12.224 -10.341 368 HG3 LYS 56 2HG LYS 56 -2.823 -11.674 -8.781 369 HD2 LYS 56 1HD LYS 56 -5.073 -12.107 -9.427 370 HD3 LYS 56 2HD LYS 56 -4.604 -12.376 -11.108 371 HE2 LYS 56 1HE LYS 56 -5.016 -14.502 -10.067 372 HE3 LYS 56 2HE LYS 56 -3.287 -14.344 -10.371 373 HZ1 LYS 56 1HZ LYS 56 -3.473 -13.364 -7.895 374 HZ2 LYS 56 2HZ LYS 56 -3.134 -14.984 -8.242 375 HZ3 LYS 56 3HZ LYS 56 -4.713 -14.515 -7.857 376 H TRP 57 H TRP 57 -1.867 -7.389 -8.801 377 HA TRP 57 HA TRP 57 -1.026 -8.807 -6.357 378 HB2 TRP 57 1HB TRP 57 0.774 -7.374 -7.118 379 HB3 TRP 57 2HB TRP 57 -0.327 -6.006 -7.257 380 HD1 TRP 57 HD TRP 57 1.492 -8.124 -4.626 381 HE1 TRP 57 1HE TRP 57 1.530 -6.816 -2.409 382 HE3 TRP 57 3HE TRP 57 -1.529 -4.214 -5.939 383 HZ2 TRP 57 2HZ TRP 57 0.425 -4.442 -1.356 384 HZ3 TRP 57 3HZ TRP 57 -1.989 -2.467 -4.269 385 HH2 TRP 57 HH TRP 57 -1.032 -2.580 -2.025 386 H PHE 58 H PHE 58 -2.743 -8.986 -5.074 387 HA PHE 58 HA PHE 58 -4.766 -6.882 -5.044 388 HB2 PHE 58 1HB PHE 58 -4.765 -9.569 -3.654 389 HB3 PHE 58 2HB PHE 58 -6.129 -8.464 -3.778 390 HD1 PHE 58 2HD PHE 58 -7.095 -7.985 -6.052 391 HD2 PHE 58 1HD PHE 58 -4.305 -11.122 -5.344 392 HE1 PHE 58 2HE PHE 58 -7.778 -9.063 -8.155 393 HE2 PHE 58 1HE PHE 58 -4.984 -12.204 -7.447 394 HZ PHE 58 HZ PHE 58 -6.723 -11.175 -8.855 395 H CYS 59 H CYS 59 -4.177 -5.216 -3.786 396 HA CYS 59 HA CYS 59 -2.462 -4.990 -1.743 397 HB2 CYS 59 1HB CYS 59 -3.630 -3.081 -0.994 398 HB3 CYS 59 2HB CYS 59 -4.024 -3.208 -2.705 399 HA PRO 60 HA PRO 60 -3.675 -7.451 1.684 400 HB2 PRO 60 1HB PRO 60 -2.804 -5.928 3.755 401 HB3 PRO 60 2HB PRO 60 -1.709 -6.810 2.685 402 HG2 PRO 60 1HG PRO 60 -2.478 -3.917 2.642 403 HG3 PRO 60 2HG PRO 60 -0.879 -4.653 2.427 404 HD2 PRO 60 1HD PRO 60 -2.383 -3.800 0.343 405 HD3 PRO 60 2HD PRO 60 -1.284 -5.189 0.222 406 H ARG 61 H ARG 61 -5.431 -4.974 0.728 407 HA ARG 61 HA ARG 61 -7.123 -4.928 3.140 408 HB2 ARG 61 1HB ARG 61 -6.557 -2.820 1.077 409 HB3 ARG 61 2HB ARG 61 -8.041 -2.775 2.019 410 HG2 ARG 61 1HG ARG 61 -6.582 -2.863 4.081 411 HG3 ARG 61 2HG ARG 61 -5.213 -2.569 3.006 412 HD2 ARG 61 1HD ARG 61 -5.898 -0.462 3.876 413 HD3 ARG 61 2HD ARG 61 -6.409 -0.526 2.190 414 HE ARG 61 HE ARG 61 -8.124 -0.554 4.541 415 HH11 ARG 61 2HH1 ARG 61 -7.826 -0.871 1.087 416 HH12 ARG 61 1HH1 ARG 61 -9.509 -0.595 0.785 417 HH21 ARG 61 2HH2 ARG 61 -10.343 -0.189 4.156 418 HH22 ARG 61 1HH2 ARG 61 -10.940 -0.206 2.532 419 H CYS 62 H CYS 62 -6.916 -5.638 -0.220 420 HA CYS 62 HA CYS 62 -9.818 -5.887 -0.486 421 HB2 CYS 62 1HB CYS 62 -7.548 -6.026 -2.466 422 HB3 CYS 62 2HB CYS 62 -9.194 -6.485 -2.891 423 H SER 63 H SER 63 -6.893 -7.817 -0.374 424 HA SER 63 HA SER 63 -8.285 -10.277 -0.984 425 HB2 SER 63 1HB SER 63 -5.745 -9.573 -1.403 426 HB3 SER 63 2HB SER 63 -5.546 -10.304 0.189 427 HG SER 63 HG SER 63 -6.177 -11.476 -2.242 428 H GLN 64 H GLN 64 -9.238 -8.798 1.300 429 HA GLN 64 HA GLN 64 -8.547 -9.340 3.791 430 HB2 GLN 64 1HB GLN 64 -11.313 -10.021 2.784 431 HB3 GLN 64 2HB GLN 64 -10.875 -9.567 4.426 432 HG2 GLN 64 1HG GLN 64 -11.640 -7.566 3.717 433 HG3 GLN 64 2HG GLN 64 -9.970 -7.410 3.175 434 HE21 GLN 64 1HE2 GLN 64 -11.101 -5.796 1.773 435 HE22 GLN 64 2HE2 GLN 64 -11.701 -6.355 0.252 436 H GLU 65 H GLU 65 -10.391 -11.775 1.940 437 HA GLU 65 HA GLU 65 -10.276 -13.861 3.711 438 HB2 GLU 65 1HB GLU 65 -11.299 -13.632 1.278 439 HB3 GLU 65 2HB GLU 65 -9.824 -14.476 0.826 440 HG2 GLU 65 1HG GLU 65 -11.917 -15.437 2.763 441 HG3 GLU 65 2HG GLU 65 -11.625 -16.047 1.136 442 H SER 66 H SER 66 -8.579 -14.642 4.764 443 HA SER 66 HA SER 66 -6.118 -15.183 3.242 444 HB2 SER 66 1HB SER 66 -6.455 -13.782 5.864 445 HB3 SER 66 2HB SER 66 -5.011 -14.762 5.603 446 HG SER 66 HG SER 66 -5.001 -13.453 3.492 447 H GLY 67 H GLY 67 -6.845 -17.346 2.986 448 HA2 GLY 67 1HA GLY 67 -6.919 -18.922 5.479 449 HA3 GLY 67 2HA GLY 67 -7.677 -19.403 3.969 450 HA PRO 68 HA PRO 68 -3.504 -21.480 4.436 451 HB2 PRO 68 1HB PRO 68 -4.433 -24.022 4.228 452 HB3 PRO 68 2HB PRO 68 -4.314 -23.166 5.770 453 HG2 PRO 68 1HG PRO 68 -6.703 -23.585 4.016 454 HG3 PRO 68 2HG PRO 68 -6.576 -23.706 5.780 455 HD2 PRO 68 1HD PRO 68 -7.601 -21.528 4.540 456 HD3 PRO 68 2HD PRO 68 -6.711 -21.424 6.073 457 H SER 69 H SER 69 -5.889 -21.023 2.166 458 HA SER 69 HA SER 69 -5.611 -22.717 0.098 459 HB2 SER 69 1HB SER 69 -5.602 -19.695 -0.049 460 HB3 SER 69 2HB SER 69 -5.855 -20.750 -1.440 461 HG SER 69 HG SER 69 -7.442 -21.177 0.813 462 H SER 70 H SER 70 -4.065 -23.446 -1.220 463 HA SER 70 HA SER 70 -2.028 -23.772 -2.178 464 HB2 SER 70 1HB SER 70 -1.983 -20.765 -1.904 465 HB3 SER 70 2HB SER 70 -0.685 -21.667 -2.685 466 HG SER 70 HG SER 70 -2.005 -21.230 -4.333 467 H GLY 71 H GLY 71 -2.197 -24.263 0.555 468 HA2 GLY 71 1HA GLY 71 -0.480 -23.157 2.327 469 HA3 GLY 71 2HA GLY 71 -0.696 -24.897 2.197 Start of MODEL 15 1 H1 GLY 1 H GLY 1 26.103 22.691 2.818 2 HA2 GLY 1 1HA GLY 1 26.774 23.620 4.806 3 HA3 GLY 1 2HA GLY 1 26.167 25.143 4.173 4 H SER 2 H SER 2 26.050 23.688 6.866 5 HA SER 2 HA SER 2 23.466 22.914 7.491 6 HB2 SER 2 1HB SER 2 25.618 22.905 8.945 7 HB3 SER 2 2HB SER 2 25.112 24.525 9.425 8 HG SER 2 HG SER 2 23.637 22.118 9.719 9 H SER 3 H SER 3 21.615 23.949 8.126 10 HA SER 3 HA SER 3 21.595 26.868 8.239 11 HB2 SER 3 1HB SER 3 19.939 25.219 6.322 12 HB3 SER 3 2HB SER 3 19.561 26.892 6.734 13 HG SER 3 HG SER 3 22.166 26.337 5.923 14 H GLY 4 H GLY 4 20.773 27.235 10.194 15 HA2 GLY 4 1HA GLY 4 19.045 25.425 11.548 16 HA3 GLY 4 2HA GLY 4 19.449 27.055 12.067 17 H SER 5 H SER 5 17.090 26.788 12.736 18 HA SER 5 HA SER 5 15.171 27.109 10.588 19 HB2 SER 5 1HB SER 5 13.487 27.097 12.346 20 HB3 SER 5 2HB SER 5 14.622 25.773 12.610 21 HG SER 5 HG SER 5 14.923 28.291 13.861 22 H SER 6 H SER 6 14.813 29.010 9.678 23 HA SER 6 HA SER 6 15.158 31.442 11.309 24 HB2 SER 6 1HB SER 6 15.708 32.628 9.232 25 HB3 SER 6 2HB SER 6 16.801 31.266 9.479 26 HG SER 6 HG SER 6 14.512 31.277 7.797 27 H GLY 7 H GLY 7 13.118 31.847 12.003 28 HA2 GLY 7 1HA GLY 7 11.153 33.137 11.498 29 HA3 GLY 7 2HA GLY 7 11.125 32.393 9.906 30 H ASP 8 H ASP 8 8.792 32.234 10.793 31 HA ASP 8 HA ASP 8 8.513 29.570 12.014 32 HB2 ASP 8 1HB ASP 8 6.310 30.534 12.975 33 HB3 ASP 8 2HB ASP 8 7.825 30.946 13.774 34 H MET 9 H MET 9 7.951 28.366 10.294 35 HA MET 9 HA MET 9 5.595 29.238 8.759 36 HB2 MET 9 1HB MET 9 8.100 27.900 7.737 37 HB3 MET 9 2HB MET 9 6.608 27.982 6.810 38 HG2 MET 9 1HG MET 9 6.817 30.207 6.395 39 HG3 MET 9 2HG MET 9 7.702 30.515 7.887 40 HE1 MET 9 1HE MET 9 10.429 31.634 6.978 41 HE2 MET 9 2HE MET 9 9.999 31.871 5.284 42 HE3 MET 9 3HE MET 9 8.793 32.132 6.546 43 HA PRO 10 HA PRO 10 4.081 25.371 10.398 44 HB2 PRO 10 1HB PRO 10 1.600 25.581 9.316 45 HB3 PRO 10 2HB PRO 10 2.098 26.473 10.759 46 HG2 PRO 10 1HG PRO 10 1.944 27.401 7.917 47 HG3 PRO 10 2HG PRO 10 1.441 28.240 9.397 48 HD2 PRO 10 1HD PRO 10 3.778 28.778 8.140 49 HD3 PRO 10 2HD PRO 10 3.590 28.904 9.901 50 H VAL 11 H VAL 11 2.321 23.778 9.117 51 HA VAL 11 HA VAL 11 3.446 23.240 6.458 52 HB VAL 11 HB VAL 11 4.284 21.784 8.575 53 HG11 VAL 11 1HG1 VAL 11 1.945 21.001 8.971 54 HG12 VAL 11 2HG1 VAL 11 2.019 20.169 7.417 55 HG13 VAL 11 3HG1 VAL 11 3.114 19.705 8.719 56 HG21 VAL 11 1HG2 VAL 11 3.828 20.872 5.739 57 HG22 VAL 11 2HG2 VAL 11 5.273 21.636 6.402 58 HG23 VAL 11 3HG2 VAL 11 4.829 20.004 6.903 59 H ASP 12 H ASP 12 2.115 21.854 5.127 60 HA ASP 12 HA ASP 12 -0.603 21.346 6.015 61 HB2 ASP 12 1HB ASP 12 -0.360 22.859 3.452 62 HB3 ASP 12 2HB ASP 12 -1.713 22.768 4.576 63 HA PRO 13 HA PRO 13 -0.108 17.844 3.405 64 HB2 PRO 13 1HB PRO 13 -2.716 17.224 2.975 65 HB3 PRO 13 2HB PRO 13 -1.903 16.941 4.519 66 HG2 PRO 13 1HG PRO 13 -3.704 19.191 3.712 67 HG3 PRO 13 2HG PRO 13 -3.669 18.276 5.230 68 HD2 PRO 13 1HD PRO 13 -2.553 20.730 4.982 69 HD3 PRO 13 2HD PRO 13 -1.895 19.487 6.065 70 H ASN 14 H ASN 14 -2.772 19.956 2.302 71 HA ASN 14 HA ASN 14 -3.529 20.332 0.150 72 HB2 ASN 14 1HB ASN 14 -0.746 21.342 0.446 73 HB3 ASN 14 2HB ASN 14 -1.447 21.377 -1.169 74 HD21 ASN 14 1HD2 ASN 14 -0.721 23.501 0.805 75 HD22 ASN 14 2HD2 ASN 14 -2.145 24.469 0.949 76 H GLU 15 H GLU 15 -2.616 17.593 0.540 77 HA GLU 15 HA GLU 15 -2.219 16.921 -2.263 78 HB2 GLU 15 1HB GLU 15 -0.240 16.387 -0.104 79 HB3 GLU 15 2HB GLU 15 -0.505 15.122 -1.296 80 HG2 GLU 15 1HG GLU 15 0.248 17.961 -1.946 81 HG3 GLU 15 2HG GLU 15 1.378 16.612 -1.847 82 HA PRO 16 HA PRO 16 -5.144 13.794 -1.252 83 HB2 PRO 16 1HB PRO 16 -4.698 12.095 -3.321 84 HB3 PRO 16 2HB PRO 16 -5.535 13.640 -3.510 85 HG2 PRO 16 1HG PRO 16 -2.680 12.948 -4.090 86 HG3 PRO 16 2HG PRO 16 -3.812 13.920 -5.047 87 HD2 PRO 16 1HD PRO 16 -1.920 15.030 -3.460 88 HD3 PRO 16 2HD PRO 16 -3.494 15.798 -3.749 89 H THR 17 H THR 17 -5.289 11.766 -0.315 90 HA THR 17 HA THR 17 -2.720 10.413 0.197 91 HB THR 17 HB THR 17 -3.982 9.526 2.280 92 HG1 THR 17 1HG THR 17 -5.920 10.319 2.522 93 HG21 THR 17 1HG2 THR 17 -2.926 12.315 1.926 94 HG22 THR 17 2HG2 THR 17 -2.140 10.920 2.665 95 HG23 THR 17 3HG2 THR 17 -3.465 11.731 3.500 96 H TYR 18 H TYR 18 -2.585 8.235 -0.080 97 HA TYR 18 HA TYR 18 -5.023 6.851 -0.988 98 HB2 TYR 18 1HB TYR 18 -2.205 6.442 -2.011 99 HB3 TYR 18 2HB TYR 18 -3.632 5.557 -2.541 100 HD1 TYR 18 1HD TYR 18 -1.936 8.829 -2.596 101 HD2 TYR 18 2HD TYR 18 -5.171 6.513 -4.105 102 HE1 TYR 18 1HE TYR 18 -2.343 10.533 -4.322 103 HE2 TYR 18 2HE TYR 18 -5.586 8.211 -5.836 104 HH TYR 18 HH TYR 18 -4.261 10.004 -7.011 105 H CYS 19 H CYS 19 -1.705 6.180 0.143 106 HA CYS 19 HA CYS 19 -2.138 3.592 1.047 107 HB2 CYS 19 1HB CYS 19 0.097 4.541 0.838 108 HB3 CYS 19 2HB CYS 19 -0.241 5.683 2.135 109 H LEU 20 H LEU 20 -2.251 2.795 3.274 110 HA LEU 20 HA LEU 20 -4.475 3.826 4.649 111 HB2 LEU 20 1HB LEU 20 -2.337 1.954 5.656 112 HB3 LEU 20 2HB LEU 20 -3.916 2.207 6.395 113 HG LEU 20 HG LEU 20 -4.728 1.433 3.978 114 HD11 LEU 20 1HD1 LEU 20 -2.991 -0.634 3.694 115 HD12 LEU 20 2HD1 LEU 20 -1.898 0.680 4.128 116 HD13 LEU 20 3HD1 LEU 20 -2.961 0.843 2.731 117 HD21 LEU 20 1HD2 LEU 20 -3.915 -0.889 5.539 118 HD22 LEU 20 2HD2 LEU 20 -5.528 -0.315 5.115 119 HD23 LEU 20 3HD2 LEU 20 -4.686 0.366 6.509 120 H CYS 21 H CYS 21 -1.014 4.239 5.121 121 HA CYS 21 HA CYS 21 -1.075 5.453 7.647 122 HB2 CYS 21 1HB CYS 21 1.144 6.315 7.101 123 HB3 CYS 21 2HB CYS 21 0.991 4.640 6.579 124 H HIS 22 H HIS 22 -2.390 6.527 4.776 125 HA HIS 22 HA HIS 22 -3.359 8.481 4.128 126 HB2 HIS 22 1HB HIS 22 -2.879 9.212 7.023 127 HB3 HIS 22 2HB HIS 22 -3.823 10.185 5.899 128 HD1 HIS 22 1HD HIS 22 -5.929 8.763 4.791 129 HD2 HIS 22 2HD HIS 22 -4.374 7.438 8.409 130 HE1 HIS 22 1HE HIS 22 -7.711 7.298 5.793 131 HE2 HIS 22 2HE HIS 22 -6.782 6.577 8.020 132 H GLN 23 H GLN 23 -0.920 8.303 3.202 133 HA GLN 23 HA GLN 23 0.293 10.942 3.697 134 HB2 GLN 23 1HB GLN 23 1.572 8.269 3.225 135 HB3 GLN 23 2HB GLN 23 2.423 9.748 2.798 136 HG2 GLN 23 1HG GLN 23 1.264 9.520 5.524 137 HG3 GLN 23 2HG GLN 23 2.726 8.609 5.147 138 HE21 GLN 23 1HE2 GLN 23 1.353 11.719 5.699 139 HE22 GLN 23 2HE2 GLN 23 2.831 12.613 5.692 140 H VAL 24 H VAL 24 1.651 11.679 1.783 141 HA VAL 24 HA VAL 24 -0.028 11.709 -0.535 142 HB VAL 24 HB VAL 24 1.471 13.296 -1.459 143 HG11 VAL 24 1HG1 VAL 24 1.925 14.066 1.350 144 HG12 VAL 24 2HG1 VAL 24 1.143 14.952 0.039 145 HG13 VAL 24 3HG1 VAL 24 0.256 13.702 0.911 146 HG21 VAL 24 1HG2 VAL 24 3.682 13.744 -0.201 147 HG22 VAL 24 2HG2 VAL 24 3.460 12.119 0.448 148 HG23 VAL 24 3HG2 VAL 24 3.594 12.362 -1.294 149 H SER 25 H SER 25 1.009 11.426 -2.756 150 HA SER 25 HA SER 25 1.889 8.719 -2.975 151 HB2 SER 25 1HB SER 25 1.213 10.914 -4.873 152 HB3 SER 25 2HB SER 25 2.214 9.594 -5.477 153 HG SER 25 HG SER 25 0.269 8.773 -5.784 154 H TYR 26 H TYR 26 3.885 8.443 -2.059 155 HA TYR 26 HA TYR 26 6.113 9.807 -3.415 156 HB2 TYR 26 1HB TYR 26 7.330 9.987 -1.370 157 HB3 TYR 26 2HB TYR 26 5.719 10.625 -1.059 158 HD1 TYR 26 1HD TYR 26 7.848 7.614 -0.623 159 HD2 TYR 26 2HD TYR 26 4.383 9.728 0.653 160 HE1 TYR 26 1HE TYR 26 7.606 6.062 1.270 161 HE2 TYR 26 2HE TYR 26 4.132 8.183 2.550 162 HH TYR 26 HH TYR 26 4.972 5.578 2.924 163 H GLY 27 H GLY 27 8.241 8.572 -2.971 164 HA2 GLY 27 1HA GLY 27 9.417 6.678 -3.558 165 HA3 GLY 27 2HA GLY 27 8.467 5.942 -2.277 166 H GLU 28 H GLU 28 8.920 4.067 -3.805 167 HA GLU 28 HA GLU 28 7.510 3.921 -6.268 168 HB2 GLU 28 1HB GLU 28 8.861 1.924 -4.488 169 HB3 GLU 28 2HB GLU 28 7.862 1.367 -5.824 170 HG2 GLU 28 1HG GLU 28 10.403 2.943 -5.909 171 HG3 GLU 28 2HG GLU 28 10.017 1.412 -6.693 172 H MET 29 H MET 29 5.486 3.259 -6.730 173 HA MET 29 HA MET 29 3.862 2.071 -4.599 174 HB2 MET 29 1HB MET 29 2.893 4.364 -6.311 175 HB3 MET 29 2HB MET 29 2.022 3.580 -5.000 176 HG2 MET 29 1HG MET 29 3.836 4.369 -3.457 177 HG3 MET 29 2HG MET 29 4.459 5.324 -4.800 178 HE1 MET 29 1HE MET 29 0.323 5.934 -2.854 179 HE2 MET 29 2HE MET 29 0.862 4.432 -3.605 180 HE3 MET 29 3HE MET 29 1.597 4.977 -2.097 181 H ILE 30 H ILE 30 1.968 0.957 -5.364 182 HA ILE 30 HA ILE 30 2.134 0.219 -8.214 183 HB ILE 30 HB ILE 30 1.715 -2.021 -7.750 184 HG12 ILE 30 1HG1 ILE 30 -0.190 -1.721 -6.257 185 HG13 ILE 30 2HG1 ILE 30 0.952 -2.859 -5.552 186 HG21 ILE 30 1HG2 ILE 30 3.963 -1.511 -7.121 187 HG22 ILE 30 2HG2 ILE 30 3.448 -0.957 -5.529 188 HG23 ILE 30 3HG2 ILE 30 3.322 -2.664 -5.952 189 HD11 ILE 30 1HD1 ILE 30 0.328 -1.521 -3.769 190 HD12 ILE 30 2HD1 ILE 30 1.866 -0.825 -4.280 191 HD13 ILE 30 3HD1 ILE 30 0.350 -0.048 -4.738 192 H GLY 31 H GLY 31 0.046 -0.802 -9.013 193 HA2 GLY 31 1HA GLY 31 -2.241 0.689 -7.880 194 HA3 GLY 31 2HA GLY 31 -2.018 0.422 -9.603 195 H CYS 32 H CYS 32 -3.507 -0.688 -6.810 196 HA CYS 32 HA CYS 32 -3.642 -3.407 -6.964 197 HB2 CYS 32 1HB CYS 32 -4.832 -1.849 -5.332 198 HB3 CYS 32 2HB CYS 32 -6.106 -1.719 -6.540 199 H ASP 33 H ASP 33 -5.186 -4.881 -7.907 200 HA ASP 33 HA ASP 33 -5.861 -4.110 -10.648 201 HB2 ASP 33 1HB ASP 33 -5.448 -6.750 -9.271 202 HB3 ASP 33 2HB ASP 33 -6.284 -6.663 -10.819 203 H ASN 34 H ASN 34 -7.307 -5.106 -7.639 204 HA ASN 34 HA ASN 34 -9.818 -5.931 -8.466 205 HB2 ASN 34 1HB ASN 34 -8.715 -5.723 -6.073 206 HB3 ASN 34 2HB ASN 34 -9.592 -4.196 -6.042 207 HD21 ASN 34 1HD2 ASN 34 -10.928 -4.906 -4.385 208 HD22 ASN 34 2HD2 ASN 34 -12.190 -6.056 -4.652 209 HA PRO 35 HA PRO 35 -11.384 -2.236 -10.378 210 HB2 PRO 35 1HB PRO 35 -13.880 -3.190 -10.858 211 HB3 PRO 35 2HB PRO 35 -12.475 -3.642 -11.831 212 HG2 PRO 35 1HG PRO 35 -13.794 -5.139 -9.599 213 HG3 PRO 35 2HG PRO 35 -13.192 -5.747 -11.152 214 HD2 PRO 35 1HD PRO 35 -11.800 -6.014 -8.844 215 HD3 PRO 35 2HD PRO 35 -11.007 -5.817 -10.421 216 H ASP 36 H ASP 36 -12.690 -3.819 -7.575 217 HA ASP 36 HA ASP 36 -14.628 -1.760 -7.003 218 HB2 ASP 36 1HB ASP 36 -13.616 -3.979 -5.213 219 HB3 ASP 36 2HB ASP 36 -15.061 -3.004 -4.958 220 H CYS 37 H CYS 37 -11.347 -2.544 -6.084 221 HA CYS 37 HA CYS 37 -10.885 -1.195 -3.794 222 HB2 CYS 37 1HB CYS 37 -9.230 -2.331 -5.464 223 HB3 CYS 37 2HB CYS 37 -9.030 -0.702 -6.100 224 H SER 38 H SER 38 -10.723 0.873 -3.074 225 HA SER 38 HA SER 38 -11.750 2.947 -4.862 226 HB2 SER 38 1HB SER 38 -12.033 4.263 -2.750 227 HB3 SER 38 2HB SER 38 -12.930 2.744 -2.761 228 HG SER 38 HG SER 38 -11.927 2.724 -0.840 229 H ILE 39 H ILE 39 -9.001 2.242 -2.761 230 HA ILE 39 HA ILE 39 -7.687 4.737 -3.327 231 HB ILE 39 HB ILE 39 -6.559 2.236 -2.062 232 HG12 ILE 39 1HG1 ILE 39 -7.450 4.718 -0.612 233 HG13 ILE 39 2HG1 ILE 39 -8.578 3.412 -0.957 234 HG21 ILE 39 1HG2 ILE 39 -4.897 3.839 -2.994 235 HG22 ILE 39 2HG2 ILE 39 -5.546 5.069 -1.912 236 HG23 ILE 39 3HG2 ILE 39 -4.785 3.625 -1.247 237 HD11 ILE 39 1HD1 ILE 39 -5.994 2.952 0.492 238 HD12 ILE 39 2HD1 ILE 39 -7.482 3.413 1.320 239 HD13 ILE 39 3HD1 ILE 39 -7.411 1.905 0.408 240 H GLU 40 H GLU 40 -6.739 1.354 -3.970 241 HA GLU 40 HA GLU 40 -5.553 0.402 -5.662 242 HB2 GLU 40 1HB GLU 40 -6.083 2.675 -7.508 243 HB3 GLU 40 2HB GLU 40 -6.172 0.944 -7.803 244 HG2 GLU 40 1HG GLU 40 -8.211 1.115 -6.143 245 HG3 GLU 40 2HG GLU 40 -8.214 2.789 -6.694 246 H TRP 41 H TRP 41 -4.158 2.067 -3.850 247 HA TRP 41 HA TRP 41 -1.725 2.419 -5.285 248 HB2 TRP 41 1HB TRP 41 -3.304 4.856 -4.498 249 HB3 TRP 41 2HB TRP 41 -1.547 4.907 -4.612 250 HD1 TRP 41 HD TRP 41 -4.618 5.208 -6.687 251 HE1 TRP 41 1HE TRP 41 -3.993 5.390 -9.177 252 HE3 TRP 41 3HE TRP 41 0.313 3.896 -6.384 253 HZ2 TRP 41 2HZ TRP 41 -1.712 5.025 -10.799 254 HZ3 TRP 41 3HZ TRP 41 1.647 3.836 -8.451 255 HH2 TRP 41 HH TRP 41 0.653 4.389 -10.612 256 H PHE 42 H PHE 42 -0.215 1.787 -3.905 257 HA PHE 42 HA PHE 42 -0.294 2.709 -1.139 258 HB2 PHE 42 1HB PHE 42 -0.034 -0.222 -1.842 259 HB3 PHE 42 2HB PHE 42 0.028 0.472 -0.225 260 HD1 PHE 42 1HD PHE 42 -2.184 -0.022 -3.155 261 HD2 PHE 42 2HD PHE 42 -1.924 0.807 1.012 262 HE1 PHE 42 1HE PHE 42 -4.622 -0.288 -2.953 263 HE2 PHE 42 2HE PHE 42 -4.361 0.542 1.220 264 HZ PHE 42 HZ PHE 42 -5.714 -0.007 -0.764 265 H HIS 43 H HIS 43 1.752 2.144 0.027 266 HA HIS 43 HA HIS 43 4.002 2.527 -1.793 267 HB2 HIS 43 1HB HIS 43 4.021 2.659 1.225 268 HB3 HIS 43 2HB HIS 43 5.238 3.288 0.119 269 HD2 HIS 43 2HD HIS 43 4.147 5.504 -1.530 270 HE1 HIS 43 1HE HIS 43 1.447 6.604 1.552 271 HE2 HIS 43 2HE HIS 43 2.486 7.276 -0.641 272 H PHE 44 H PHE 44 5.692 1.136 -1.996 273 HA PHE 44 HA PHE 44 5.352 -1.571 -1.651 274 HB2 PHE 44 1HB PHE 44 7.759 0.162 -2.026 275 HB3 PHE 44 2HB PHE 44 7.994 -1.544 -1.658 276 HD1 PHE 44 2HD PHE 44 5.553 0.283 -3.810 277 HD2 PHE 44 1HD PHE 44 8.605 -2.674 -3.557 278 HE1 PHE 44 2HE PHE 44 5.209 -0.271 -6.182 279 HE2 PHE 44 1HE PHE 44 8.266 -3.231 -5.929 280 HZ PHE 44 HZ PHE 44 6.565 -2.030 -7.245 281 H ALA 45 H ALA 45 7.246 0.604 0.441 282 HA ALA 45 HA ALA 45 8.036 -1.257 2.343 283 HB1 ALA 45 1HB ALA 45 7.541 1.695 2.481 284 HB2 ALA 45 2HB ALA 45 8.036 0.785 3.910 285 HB3 ALA 45 3HB ALA 45 9.073 0.821 2.484 286 H CYS 46 H CYS 46 5.241 0.956 2.552 287 HA CYS 46 HA CYS 46 4.143 0.057 4.905 288 HB2 CYS 46 1HB CYS 46 3.038 1.325 2.452 289 HB3 CYS 46 2HB CYS 46 1.886 0.621 3.581 290 H VAL 47 H VAL 47 3.733 -1.289 1.660 291 HA VAL 47 HA VAL 47 2.119 -3.474 2.749 292 HB VAL 47 HB VAL 47 1.774 -4.122 0.382 293 HG11 VAL 47 1HG1 VAL 47 1.096 -1.227 0.513 294 HG12 VAL 47 2HG1 VAL 47 0.094 -2.602 0.045 295 HG13 VAL 47 3HG1 VAL 47 0.447 -2.305 1.748 296 HG21 VAL 47 1HG2 VAL 47 2.501 -1.849 -1.031 297 HG22 VAL 47 2HG2 VAL 47 3.898 -2.191 -0.011 298 HG23 VAL 47 3HG2 VAL 47 3.282 -3.429 -1.106 299 H GLY 48 H GLY 48 5.037 -3.179 3.225 300 HA2 GLY 48 1HA GLY 48 7.017 -4.374 2.970 301 HA3 GLY 48 2HA GLY 48 5.928 -5.696 3.364 302 H LEU 49 H LEU 49 7.037 -3.764 0.589 303 HA LEU 49 HA LEU 49 6.860 -6.209 -1.047 304 HB2 LEU 49 1HB LEU 49 6.130 -3.394 -1.593 305 HB3 LEU 49 2HB LEU 49 6.891 -4.285 -2.910 306 HG LEU 49 HG LEU 49 4.353 -5.083 -1.485 307 HD11 LEU 49 1HD1 LEU 49 4.245 -4.477 -4.334 308 HD12 LEU 49 2HD1 LEU 49 4.671 -3.087 -3.337 309 HD13 LEU 49 3HD1 LEU 49 3.179 -3.972 -3.024 310 HD21 LEU 49 1HD2 LEU 49 6.159 -6.481 -3.308 311 HD22 LEU 49 2HD2 LEU 49 4.478 -6.465 -3.842 312 HD23 LEU 49 3HD2 LEU 49 4.893 -7.113 -2.255 313 H THR 50 H THR 50 8.908 -6.975 -0.933 314 HA THR 50 HA THR 50 11.247 -5.415 -0.866 315 HB THR 50 HB THR 50 11.232 -7.754 -0.144 316 HG1 THR 50 1HG THR 50 13.227 -8.257 -1.034 317 HG21 THR 50 1HG2 THR 50 11.348 -8.772 -2.925 318 HG22 THR 50 2HG2 THR 50 9.760 -8.319 -2.306 319 HG23 THR 50 3HG2 THR 50 10.721 -9.535 -1.464 320 H THR 51 H THR 51 9.216 -6.416 -3.475 321 HA THR 51 HA THR 51 10.751 -4.831 -5.335 322 HB THR 51 HB THR 51 11.885 -7.041 -5.454 323 HG1 THR 51 1HG THR 51 11.459 -7.244 -7.834 324 HG21 THR 51 1HG2 THR 51 10.065 -8.530 -4.954 325 HG22 THR 51 2HG2 THR 51 10.646 -8.894 -6.579 326 HG23 THR 51 3HG2 THR 51 9.160 -7.970 -6.359 327 H LYS 52 H LYS 52 9.679 -4.847 -7.544 328 HA LYS 52 HA LYS 52 6.948 -4.218 -7.252 329 HB2 LYS 52 1HB LYS 52 8.584 -3.342 -9.001 330 HB3 LYS 52 2HB LYS 52 8.311 -4.848 -9.867 331 HG2 LYS 52 1HG LYS 52 6.019 -4.337 -10.207 332 HG3 LYS 52 2HG LYS 52 6.095 -2.970 -9.093 333 HD2 LYS 52 1HD LYS 52 7.773 -3.097 -11.583 334 HD3 LYS 52 2HD LYS 52 6.132 -2.448 -11.592 335 HE2 LYS 52 1HE LYS 52 7.365 -0.538 -11.249 336 HE3 LYS 52 2HE LYS 52 7.004 -1.013 -9.590 337 HZ1 LYS 52 1HZ LYS 52 9.161 -1.133 -9.183 338 HZ2 LYS 52 2HZ LYS 52 9.507 -0.642 -10.764 339 HZ3 LYS 52 3HZ LYS 52 9.368 -2.289 -10.401 340 HA PRO 53 HA PRO 53 5.264 -8.325 -7.487 341 HB2 PRO 53 1HB PRO 53 2.656 -7.573 -7.529 342 HB3 PRO 53 2HB PRO 53 3.634 -7.566 -6.057 343 HG2 PRO 53 1HG PRO 53 2.920 -5.291 -7.867 344 HG3 PRO 53 2HG PRO 53 2.943 -5.346 -6.094 345 HD2 PRO 53 1HD PRO 53 4.945 -4.239 -7.544 346 HD3 PRO 53 2HD PRO 53 5.227 -5.049 -5.990 347 H ARG 54 H ARG 54 5.820 -9.072 -9.510 348 HA ARG 54 HA ARG 54 4.883 -7.985 -11.943 349 HB2 ARG 54 1HB ARG 54 5.901 -10.771 -11.353 350 HB3 ARG 54 2HB ARG 54 5.709 -10.076 -12.957 351 HG2 ARG 54 1HG ARG 54 7.443 -8.515 -12.595 352 HG3 ARG 54 2HG ARG 54 7.483 -8.856 -10.864 353 HD2 ARG 54 1HD ARG 54 8.579 -10.864 -11.150 354 HD3 ARG 54 2HD ARG 54 7.999 -11.063 -12.803 355 HE ARG 54 HE ARG 54 9.833 -9.916 -13.540 356 HH11 ARG 54 2HH1 ARG 54 9.421 -9.323 -10.134 357 HH12 ARG 54 1HH1 ARG 54 10.918 -8.466 -9.969 358 HH21 ARG 54 2HH2 ARG 54 11.807 -8.790 -13.336 359 HH22 ARG 54 1HH2 ARG 54 12.274 -8.163 -11.791 360 H GLY 55 H GLY 55 3.310 -8.766 -13.395 361 HA2 GLY 55 1HA GLY 55 1.375 -9.857 -14.049 362 HA3 GLY 55 2HA GLY 55 1.521 -10.887 -12.633 363 H LYS 56 H LYS 56 -0.044 -10.677 -11.192 364 HA LYS 56 HA LYS 56 -1.531 -8.137 -11.105 365 HB2 LYS 56 1HB LYS 56 -2.419 -10.941 -10.409 366 HB3 LYS 56 2HB LYS 56 -3.393 -9.500 -10.145 367 HG2 LYS 56 1HG LYS 56 -3.713 -9.146 -12.419 368 HG3 LYS 56 2HG LYS 56 -2.339 -10.160 -12.867 369 HD2 LYS 56 1HD LYS 56 -4.746 -11.295 -11.475 370 HD3 LYS 56 2HD LYS 56 -4.698 -11.103 -13.229 371 HE2 LYS 56 1HE LYS 56 -2.423 -12.464 -11.869 372 HE3 LYS 56 2HE LYS 56 -3.936 -13.345 -12.074 373 HZ1 LYS 56 1HZ LYS 56 -2.008 -13.265 -13.908 374 HZ2 LYS 56 2HZ LYS 56 -2.958 -11.967 -14.432 375 HZ3 LYS 56 3HZ LYS 56 -3.640 -13.508 -14.282 376 H TRP 57 H TRP 57 -2.247 -7.359 -9.052 377 HA TRP 57 HA TRP 57 -1.035 -8.537 -6.678 378 HB2 TRP 57 1HB TRP 57 0.665 -6.968 -7.530 379 HB3 TRP 57 2HB TRP 57 -0.523 -5.668 -7.496 380 HD1 TRP 57 HD TRP 57 1.518 -7.905 -5.124 381 HE1 TRP 57 1HE TRP 57 1.638 -6.752 -2.826 382 HE3 TRP 57 3HE TRP 57 -1.658 -3.998 -6.009 383 HZ2 TRP 57 2HZ TRP 57 0.533 -4.486 -1.557 384 HZ3 TRP 57 3HZ TRP 57 -2.073 -2.383 -4.200 385 HH2 TRP 57 HH TRP 57 -1.000 -2.624 -2.021 386 H PHE 58 H PHE 58 -2.551 -8.621 -5.169 387 HA PHE 58 HA PHE 58 -4.758 -6.684 -5.272 388 HB2 PHE 58 1HB PHE 58 -4.606 -9.387 -3.920 389 HB3 PHE 58 2HB PHE 58 -6.011 -8.326 -3.915 390 HD1 PHE 58 2HD PHE 58 -6.781 -7.570 -6.347 391 HD2 PHE 58 1HD PHE 58 -4.556 -11.087 -5.452 392 HE1 PHE 58 2HE PHE 58 -7.559 -8.592 -8.445 393 HE2 PHE 58 1HE PHE 58 -5.330 -12.114 -7.550 394 HZ PHE 58 HZ PHE 58 -6.834 -10.867 -9.049 395 H CYS 59 H CYS 59 -4.337 -4.988 -4.004 396 HA CYS 59 HA CYS 59 -2.609 -4.641 -1.976 397 HB2 CYS 59 1HB CYS 59 -3.880 -2.796 -1.247 398 HB3 CYS 59 2HB CYS 59 -4.289 -2.970 -2.951 399 HA PRO 60 HA PRO 60 -3.664 -7.135 1.478 400 HB2 PRO 60 1HB PRO 60 -2.907 -5.535 3.537 401 HB3 PRO 60 2HB PRO 60 -1.750 -6.351 2.478 402 HG2 PRO 60 1HG PRO 60 -2.715 -3.518 2.403 403 HG3 PRO 60 2HG PRO 60 -1.069 -4.145 2.200 404 HD2 PRO 60 1HD PRO 60 -2.620 -3.418 0.103 405 HD3 PRO 60 2HD PRO 60 -1.428 -4.729 0.000 406 H ARG 61 H ARG 61 -5.430 -4.496 0.633 407 HA ARG 61 HA ARG 61 -7.159 -4.601 3.005 408 HB2 ARG 61 1HB ARG 61 -7.015 -2.592 0.751 409 HB3 ARG 61 2HB ARG 61 -8.196 -2.540 2.053 410 HG2 ARG 61 1HG ARG 61 -6.175 -2.497 3.626 411 HG3 ARG 61 2HG ARG 61 -5.238 -2.097 2.185 412 HD2 ARG 61 1HD ARG 61 -5.800 -0.028 3.147 413 HD3 ARG 61 2HD ARG 61 -6.920 -0.230 1.800 414 HE ARG 61 HE ARG 61 -8.274 -1.240 3.928 415 HH11 ARG 61 2HH1 ARG 61 -6.680 1.786 3.277 416 HH12 ARG 61 1HH1 ARG 61 -7.740 2.711 4.288 417 HH21 ARG 61 2HH2 ARG 61 -9.676 -0.033 5.262 418 HH22 ARG 61 1HH2 ARG 61 -9.443 1.676 5.417 419 H CYS 62 H CYS 62 -6.953 -5.499 -0.302 420 HA CYS 62 HA CYS 62 -9.837 -5.909 -0.532 421 HB2 CYS 62 1HB CYS 62 -7.571 -6.155 -2.512 422 HB3 CYS 62 2HB CYS 62 -9.224 -6.633 -2.884 423 H SER 63 H SER 63 -6.813 -7.761 -0.691 424 HA SER 63 HA SER 63 -7.979 -10.286 -1.084 425 HB2 SER 63 1HB SER 63 -5.604 -9.911 -1.471 426 HB3 SER 63 2HB SER 63 -5.355 -9.553 0.237 427 HG SER 63 HG SER 63 -6.384 -12.025 -0.683 428 H GLN 64 H GLN 64 -7.245 -8.466 1.840 429 HA GLN 64 HA GLN 64 -7.590 -10.426 3.762 430 HB2 GLN 64 1HB GLN 64 -6.814 -8.144 4.252 431 HB3 GLN 64 2HB GLN 64 -8.429 -7.526 3.928 432 HG2 GLN 64 1HG GLN 64 -8.290 -7.642 6.251 433 HG3 GLN 64 2HG GLN 64 -9.220 -9.066 5.788 434 HE21 GLN 64 1HE2 GLN 64 -6.050 -7.928 6.776 435 HE22 GLN 64 2HE2 GLN 64 -5.500 -9.437 7.412 436 H GLU 65 H GLU 65 -10.071 -8.265 2.394 437 HA GLU 65 HA GLU 65 -12.179 -9.759 3.708 438 HB2 GLU 65 1HB GLU 65 -12.187 -7.242 3.406 439 HB3 GLU 65 2HB GLU 65 -12.490 -7.530 1.698 440 HG2 GLU 65 1HG GLU 65 -14.495 -7.035 3.170 441 HG3 GLU 65 2HG GLU 65 -14.604 -8.433 2.101 442 H SER 66 H SER 66 -12.313 -11.766 2.804 443 HA SER 66 HA SER 66 -13.446 -11.899 0.137 444 HB2 SER 66 1HB SER 66 -10.851 -12.117 0.039 445 HB3 SER 66 2HB SER 66 -11.130 -13.726 0.705 446 HG SER 66 HG SER 66 -11.157 -13.213 -1.762 447 H GLY 67 H GLY 67 -13.840 -14.379 -0.374 448 HA2 GLY 67 1HA GLY 67 -15.503 -15.325 1.771 449 HA3 GLY 67 2HA GLY 67 -15.296 -16.081 0.198 450 HA PRO 68 HA PRO 68 -12.540 -17.959 3.722 451 HB2 PRO 68 1HB PRO 68 -14.289 -19.402 5.215 452 HB3 PRO 68 2HB PRO 68 -13.831 -17.742 5.611 453 HG2 PRO 68 1HG PRO 68 -16.279 -18.749 4.212 454 HG3 PRO 68 2HG PRO 68 -16.139 -17.501 5.465 455 HD2 PRO 68 1HD PRO 68 -16.401 -16.904 2.837 456 HD3 PRO 68 2HD PRO 68 -15.476 -15.886 3.960 457 H SER 69 H SER 69 -12.556 -20.458 4.313 458 HA SER 69 HA SER 69 -12.482 -21.848 1.856 459 HB2 SER 69 1HB SER 69 -12.224 -22.714 4.730 460 HB3 SER 69 2HB SER 69 -12.179 -23.884 3.411 461 HG SER 69 HG SER 69 -10.517 -22.208 2.577 462 H SER 70 H SER 70 -14.784 -21.850 4.537 463 HA SER 70 HA SER 70 -16.591 -23.506 2.903 464 HB2 SER 70 1HB SER 70 -17.554 -24.378 4.892 465 HB3 SER 70 2HB SER 70 -15.811 -24.417 5.156 466 HG SER 70 HG SER 70 -17.764 -22.883 6.383 467 H GLY 71 H GLY 71 -16.404 -20.761 2.426 468 HA2 GLY 71 1HA GLY 71 -17.642 -18.820 2.343 469 HA3 GLY 71 2HA GLY 71 -19.004 -19.929 2.294 Start of MODEL 16 1 H1 GLY 1 H GLY 1 8.293 25.103 25.652 2 HA2 GLY 1 1HA GLY 1 5.742 26.062 24.548 3 HA3 GLY 1 2HA GLY 1 7.332 26.370 23.866 4 H SER 2 H SER 2 5.512 23.447 24.799 5 HA SER 2 HA SER 2 5.636 22.510 22.041 6 HB2 SER 2 1HB SER 2 6.516 20.285 22.784 7 HB3 SER 2 2HB SER 2 7.681 21.598 22.950 8 HG SER 2 HG SER 2 6.139 20.367 24.982 9 H SER 3 H SER 3 3.767 21.616 21.477 10 HA SER 3 HA SER 3 1.981 20.657 23.617 11 HB2 SER 3 1HB SER 3 0.101 21.259 22.118 12 HB3 SER 3 2HB SER 3 1.095 22.656 22.531 13 HG SER 3 HG SER 3 1.589 21.169 20.188 14 H GLY 4 H GLY 4 0.236 19.120 22.644 15 HA2 GLY 4 1HA GLY 4 1.553 16.777 21.806 16 HA3 GLY 4 2HA GLY 4 -0.188 17.020 21.819 17 H SER 5 H SER 5 2.677 16.958 19.905 18 HA SER 5 HA SER 5 1.224 16.606 17.499 19 HB2 SER 5 1HB SER 5 1.025 19.109 17.847 20 HB3 SER 5 2HB SER 5 2.772 19.199 17.626 21 HG SER 5 HG SER 5 2.066 17.849 15.601 22 H SER 6 H SER 6 2.445 15.495 16.095 23 HA SER 6 HA SER 6 5.290 15.847 15.909 24 HB2 SER 6 1HB SER 6 5.894 13.552 16.555 25 HB3 SER 6 2HB SER 6 5.164 14.418 17.907 26 HG SER 6 HG SER 6 4.234 12.237 16.486 27 H GLY 7 H GLY 7 6.244 14.550 14.197 28 HA2 GLY 7 1HA GLY 7 5.641 12.761 12.502 29 HA3 GLY 7 2HA GLY 7 4.207 13.737 12.222 30 H ASP 8 H ASP 8 4.369 14.734 10.334 31 HA ASP 8 HA ASP 8 6.732 16.347 9.786 32 HB2 ASP 8 1HB ASP 8 5.756 14.135 7.978 33 HB3 ASP 8 2HB ASP 8 6.778 15.451 7.408 34 H MET 9 H MET 9 6.374 17.683 7.745 35 HA MET 9 HA MET 9 4.307 19.401 7.984 36 HB2 MET 9 1HB MET 9 4.633 20.031 5.643 37 HB3 MET 9 2HB MET 9 6.176 19.751 6.439 38 HG2 MET 9 1HG MET 9 6.264 17.511 5.426 39 HG3 MET 9 2HG MET 9 4.755 17.856 4.584 40 HE1 MET 9 1HE MET 9 4.677 18.236 2.484 41 HE2 MET 9 2HE MET 9 4.796 19.993 2.385 42 HE3 MET 9 3HE MET 9 5.842 18.980 1.388 43 HA PRO 10 HA PRO 10 0.571 17.335 6.918 44 HB2 PRO 10 1HB PRO 10 -0.928 19.478 6.191 45 HB3 PRO 10 2HB PRO 10 -0.515 19.121 7.872 46 HG2 PRO 10 1HG PRO 10 0.751 21.068 5.983 47 HG3 PRO 10 2HG PRO 10 0.337 21.278 7.694 48 HD2 PRO 10 1HD PRO 10 2.856 20.738 6.860 49 HD3 PRO 10 2HD PRO 10 2.222 20.165 8.416 50 H VAL 11 H VAL 11 -0.044 16.257 5.153 51 HA VAL 11 HA VAL 11 1.065 16.688 2.619 52 HB VAL 11 HB VAL 11 -0.674 15.092 1.797 53 HG11 VAL 11 1HG1 VAL 11 1.061 13.798 2.388 54 HG12 VAL 11 2HG1 VAL 11 1.266 14.609 3.941 55 HG13 VAL 11 3HG1 VAL 11 0.046 13.349 3.758 56 HG21 VAL 11 1HG2 VAL 11 -1.991 13.976 3.705 57 HG22 VAL 11 2HG2 VAL 11 -1.684 15.467 4.596 58 HG23 VAL 11 3HG2 VAL 11 -2.578 15.516 3.077 59 H ASP 12 H ASP 12 0.736 18.533 1.533 60 HA ASP 12 HA ASP 12 -1.265 20.341 1.631 61 HB2 ASP 12 1HB ASP 12 0.551 19.456 -0.547 62 HB3 ASP 12 2HB ASP 12 -0.811 20.472 -1.012 63 HA PRO 13 HA PRO 13 -5.004 18.488 0.251 64 HB2 PRO 13 1HB PRO 13 -6.307 20.695 -0.645 65 HB3 PRO 13 2HB PRO 13 -6.064 20.354 1.072 66 HG2 PRO 13 1HG PRO 13 -4.527 22.182 -0.732 67 HG3 PRO 13 2HG PRO 13 -5.075 22.454 0.932 68 HD2 PRO 13 1HD PRO 13 -2.529 21.754 0.333 69 HD3 PRO 13 2HD PRO 13 -3.329 21.254 1.837 70 H ASN 14 H ASN 14 -2.749 19.865 -1.834 71 HA ASN 14 HA ASN 14 -4.206 19.807 -4.275 72 HB2 ASN 14 1HB ASN 14 -1.213 19.543 -3.936 73 HB3 ASN 14 2HB ASN 14 -2.080 20.113 -5.360 74 HD21 ASN 14 1HD2 ASN 14 -2.115 22.216 -5.614 75 HD22 ASN 14 2HD2 ASN 14 -1.984 23.400 -4.363 76 H GLU 15 H GLU 15 -1.849 17.561 -2.829 77 HA GLU 15 HA GLU 15 -2.610 15.532 -4.796 78 HB2 GLU 15 1HB GLU 15 -0.348 15.685 -2.805 79 HB3 GLU 15 2HB GLU 15 -0.686 14.253 -3.766 80 HG2 GLU 15 1HG GLU 15 -0.092 15.294 -5.757 81 HG3 GLU 15 2HG GLU 15 -0.258 16.909 -5.072 82 HA PRO 16 HA PRO 16 -5.331 13.757 -1.750 83 HB2 PRO 16 1HB PRO 16 -6.101 11.642 -3.268 84 HB3 PRO 16 2HB PRO 16 -6.731 13.276 -3.508 85 HG2 PRO 16 1HG PRO 16 -4.572 11.839 -5.004 86 HG3 PRO 16 2HG PRO 16 -5.886 12.852 -5.632 87 HD2 PRO 16 1HD PRO 16 -3.354 13.766 -5.340 88 HD3 PRO 16 2HD PRO 16 -4.775 14.813 -5.148 89 H THR 17 H THR 17 -5.199 12.124 -0.261 90 HA THR 17 HA THR 17 -2.723 10.627 -0.199 91 HB THR 17 HB THR 17 -3.721 9.780 2.021 92 HG1 THR 17 1HG THR 17 -5.296 11.683 2.631 93 HG21 THR 17 1HG2 THR 17 -2.008 11.339 2.233 94 HG22 THR 17 2HG2 THR 17 -3.349 12.129 3.062 95 HG23 THR 17 3HG2 THR 17 -2.925 12.605 1.418 96 H TYR 18 H TYR 18 -2.467 8.520 -0.631 97 HA TYR 18 HA TYR 18 -4.874 6.973 -1.318 98 HB2 TYR 18 1HB TYR 18 -2.039 6.390 -2.182 99 HB3 TYR 18 2HB TYR 18 -3.520 5.682 -2.817 100 HD1 TYR 18 2HD TYR 18 -5.259 7.757 -3.512 101 HD2 TYR 18 1HD TYR 18 -1.008 7.786 -3.690 102 HE1 TYR 18 2HE TYR 18 -5.350 9.495 -5.250 103 HE2 TYR 18 1HE TYR 18 -1.087 9.525 -5.427 104 HH TYR 18 HH TYR 18 -2.932 11.413 -6.058 105 H CYS 19 H CYS 19 -1.554 6.103 -0.363 106 HA CYS 19 HA CYS 19 -2.043 3.700 0.816 107 HB2 CYS 19 1HB CYS 19 0.212 4.535 0.544 108 HB3 CYS 19 2HB CYS 19 -0.083 5.823 1.707 109 H LEU 20 H LEU 20 -2.097 3.072 3.119 110 HA LEU 20 HA LEU 20 -4.303 4.234 4.435 111 HB2 LEU 20 1HB LEU 20 -2.212 2.412 5.613 112 HB3 LEU 20 2HB LEU 20 -3.840 2.688 6.230 113 HG LEU 20 HG LEU 20 -4.575 1.736 3.913 114 HD11 LEU 20 1HD1 LEU 20 -2.602 -0.178 3.679 115 HD12 LEU 20 2HD1 LEU 20 -1.703 1.324 3.893 116 HD13 LEU 20 3HD1 LEU 20 -2.878 1.178 2.586 117 HD21 LEU 20 1HD2 LEU 20 -4.216 -0.629 4.928 118 HD22 LEU 20 2HD2 LEU 20 -5.245 0.533 5.767 119 HD23 LEU 20 3HD2 LEU 20 -3.592 0.259 6.318 120 H CYS 21 H CYS 21 -0.830 4.599 4.828 121 HA CYS 21 HA CYS 21 -0.837 5.972 7.279 122 HB2 CYS 21 1HB CYS 21 1.408 6.691 6.698 123 HB3 CYS 21 2HB CYS 21 1.189 5.009 6.225 124 H HIS 22 H HIS 22 -2.216 6.877 4.412 125 HA HIS 22 HA HIS 22 -3.142 8.811 3.652 126 HB2 HIS 22 1HB HIS 22 -2.505 9.653 6.478 127 HB3 HIS 22 2HB HIS 22 -3.312 10.721 5.333 128 HD1 HIS 22 1HD HIS 22 -5.514 9.318 4.157 129 HD2 HIS 22 2HD HIS 22 -4.314 8.406 8.029 130 HE1 HIS 22 1HE HIS 22 -7.498 8.209 5.233 131 HE2 HIS 22 2HE HIS 22 -6.777 7.744 7.601 132 H GLN 23 H GLN 23 -0.773 8.439 2.608 133 HA GLN 23 HA GLN 23 0.520 11.081 2.728 134 HB2 GLN 23 1HB GLN 23 1.805 8.361 2.559 135 HB3 GLN 23 2HB GLN 23 2.653 9.828 2.089 136 HG2 GLN 23 1HG GLN 23 1.378 9.713 4.772 137 HG3 GLN 23 2HG GLN 23 2.881 8.832 4.502 138 HE21 GLN 23 1HE2 GLN 23 4.766 9.926 4.369 139 HE22 GLN 23 2HE2 GLN 23 4.911 11.637 4.560 140 H VAL 24 H VAL 24 1.769 11.592 0.723 141 HA VAL 24 HA VAL 24 0.176 10.821 -1.603 142 HB VAL 24 HB VAL 24 1.114 12.726 -2.729 143 HG11 VAL 24 1HG1 VAL 24 -0.648 13.556 -1.547 144 HG12 VAL 24 2HG1 VAL 24 0.032 13.085 0.012 145 HG13 VAL 24 3HG1 VAL 24 0.646 14.511 -0.825 146 HG21 VAL 24 1HG2 VAL 24 3.357 12.833 -2.169 147 HG22 VAL 24 2HG2 VAL 24 2.695 14.222 -1.308 148 HG23 VAL 24 3HG2 VAL 24 3.037 12.727 -0.438 149 H SER 25 H SER 25 1.423 10.671 -3.717 150 HA SER 25 HA SER 25 3.190 8.483 -3.584 151 HB2 SER 25 1HB SER 25 1.769 8.945 -5.544 152 HB3 SER 25 2HB SER 25 2.715 10.393 -5.887 153 HG SER 25 HG SER 25 3.452 8.667 -7.143 154 H TYR 26 H TYR 26 5.151 8.616 -2.706 155 HA TYR 26 HA TYR 26 6.904 10.820 -3.569 156 HB2 TYR 26 1HB TYR 26 8.010 10.631 -1.319 157 HB3 TYR 26 2HB TYR 26 6.365 11.254 -1.275 158 HD1 TYR 26 1HD TYR 26 8.089 7.935 -1.122 159 HD2 TYR 26 2HD TYR 26 5.011 10.446 0.401 160 HE1 TYR 26 1HE TYR 26 7.479 6.192 0.502 161 HE2 TYR 26 2HE TYR 26 4.393 8.711 2.030 162 HH TYR 26 HH TYR 26 6.147 5.623 2.180 163 H GLY 27 H GLY 27 6.430 7.455 -3.146 164 HA2 GLY 27 1HA GLY 27 9.119 6.968 -4.226 165 HA3 GLY 27 2HA GLY 27 8.607 6.084 -2.797 166 H GLU 28 H GLU 28 8.902 4.126 -3.979 167 HA GLU 28 HA GLU 28 7.546 3.545 -6.384 168 HB2 GLU 28 1HB GLU 28 8.541 1.669 -4.232 169 HB3 GLU 28 2HB GLU 28 8.036 1.182 -5.844 170 HG2 GLU 28 1HG GLU 28 10.343 1.256 -5.996 171 HG3 GLU 28 2HG GLU 28 9.837 2.798 -6.685 172 H MET 29 H MET 29 5.521 2.901 -6.799 173 HA MET 29 HA MET 29 3.835 1.985 -4.582 174 HB2 MET 29 1HB MET 29 2.898 4.027 -6.599 175 HB3 MET 29 2HB MET 29 2.027 3.446 -5.186 176 HG2 MET 29 1HG MET 29 3.729 4.479 -3.742 177 HG3 MET 29 2HG MET 29 4.534 5.109 -5.178 178 HE1 MET 29 1HE MET 29 1.313 4.718 -3.371 179 HE2 MET 29 2HE MET 29 1.638 6.220 -2.506 180 HE3 MET 29 3HE MET 29 0.354 6.159 -3.715 181 H ILE 30 H ILE 30 1.736 1.060 -5.406 182 HA ILE 30 HA ILE 30 2.041 -0.113 -8.085 183 HB ILE 30 HB ILE 30 1.571 -2.282 -7.383 184 HG12 ILE 30 1HG1 ILE 30 -0.343 -1.694 -5.932 185 HG13 ILE 30 2HG1 ILE 30 0.713 -2.886 -5.181 186 HG21 ILE 30 1HG2 ILE 30 3.130 -2.718 -5.452 187 HG22 ILE 30 2HG2 ILE 30 3.815 -1.803 -6.794 188 HG23 ILE 30 3HG2 ILE 30 3.323 -0.970 -5.320 189 HD11 ILE 30 1HD1 ILE 30 0.406 0.019 -4.519 190 HD12 ILE 30 2HD1 ILE 30 0.169 -1.386 -3.478 191 HD13 ILE 30 3HD1 ILE 30 1.795 -0.924 -3.981 192 H GLY 31 H GLY 31 -0.007 -1.069 -8.911 193 HA2 GLY 31 1HA GLY 31 -2.311 0.512 -7.951 194 HA3 GLY 31 2HA GLY 31 -2.047 0.087 -9.635 195 H CYS 32 H CYS 32 -3.395 -0.875 -6.642 196 HA CYS 32 HA CYS 32 -3.632 -3.551 -6.635 197 HB2 CYS 32 1HB CYS 32 -4.790 -1.949 -5.084 198 HB3 CYS 32 2HB CYS 32 -6.029 -1.737 -6.316 199 H ASP 33 H ASP 33 -4.319 -5.113 -7.944 200 HA ASP 33 HA ASP 33 -5.092 -4.667 -10.581 201 HB2 ASP 33 1HB ASP 33 -4.139 -6.797 -9.602 202 HB3 ASP 33 2HB ASP 33 -5.754 -7.149 -8.993 203 H ASN 34 H ASN 34 -7.037 -5.175 -7.691 204 HA ASN 34 HA ASN 34 -9.528 -5.576 -8.861 205 HB2 ASN 34 1HB ASN 34 -8.753 -5.595 -6.348 206 HB3 ASN 34 2HB ASN 34 -9.290 -3.918 -6.379 207 HD21 ASN 34 1HD2 ASN 34 -10.814 -4.694 -4.762 208 HD22 ASN 34 2HD2 ASN 34 -12.293 -5.415 -5.287 209 HA PRO 35 HA PRO 35 -10.062 -1.632 -10.875 210 HB2 PRO 35 1HB PRO 35 -12.516 -2.184 -11.897 211 HB3 PRO 35 2HB PRO 35 -11.020 -2.814 -12.597 212 HG2 PRO 35 1HG PRO 35 -12.967 -4.160 -10.764 213 HG3 PRO 35 2HG PRO 35 -12.152 -4.806 -12.201 214 HD2 PRO 35 1HD PRO 35 -11.315 -5.348 -9.683 215 HD3 PRO 35 2HD PRO 35 -10.196 -5.227 -11.056 216 H ASP 36 H ASP 36 -12.147 -3.089 -8.502 217 HA ASP 36 HA ASP 36 -13.875 -0.814 -8.206 218 HB2 ASP 36 1HB ASP 36 -14.484 -3.220 -7.663 219 HB3 ASP 36 2HB ASP 36 -13.485 -3.055 -6.222 220 H CYS 37 H CYS 37 -10.980 -2.035 -6.634 221 HA CYS 37 HA CYS 37 -10.822 -0.695 -4.299 222 HB2 CYS 37 1HB CYS 37 -9.036 -2.113 -5.555 223 HB3 CYS 37 2HB CYS 37 -8.470 -0.560 -6.162 224 H SER 38 H SER 38 -11.311 1.320 -3.768 225 HA SER 38 HA SER 38 -11.468 3.450 -5.619 226 HB2 SER 38 1HB SER 38 -12.731 3.196 -3.407 227 HB3 SER 38 2HB SER 38 -11.262 3.785 -2.627 228 HG SER 38 HG SER 38 -13.058 5.126 -4.302 229 H ILE 39 H ILE 39 -9.107 2.665 -3.088 230 HA ILE 39 HA ILE 39 -7.446 4.921 -3.624 231 HB ILE 39 HB ILE 39 -6.749 2.353 -2.194 232 HG12 ILE 39 1HG1 ILE 39 -7.632 5.006 -1.041 233 HG13 ILE 39 2HG1 ILE 39 -8.687 3.609 -1.233 234 HG21 ILE 39 1HG2 ILE 39 -5.074 3.946 -1.072 235 HG22 ILE 39 2HG2 ILE 39 -4.713 3.367 -2.698 236 HG23 ILE 39 3HG2 ILE 39 -5.356 4.992 -2.464 237 HD11 ILE 39 1HD1 ILE 39 -8.092 3.102 0.848 238 HD12 ILE 39 2HD1 ILE 39 -6.563 2.571 0.147 239 HD13 ILE 39 3HD1 ILE 39 -6.710 4.197 0.815 240 H GLU 40 H GLU 40 -6.785 1.440 -4.079 241 HA GLU 40 HA GLU 40 -5.417 0.341 -5.532 242 HB2 GLU 40 1HB GLU 40 -7.240 1.132 -7.053 243 HB3 GLU 40 2HB GLU 40 -6.242 2.525 -7.451 244 HG2 GLU 40 1HG GLU 40 -4.638 1.203 -8.539 245 HG3 GLU 40 2HG GLU 40 -5.278 -0.286 -7.847 246 H TRP 41 H TRP 41 -4.024 2.016 -3.856 247 HA TRP 41 HA TRP 41 -1.593 2.358 -5.292 248 HB2 TRP 41 1HB TRP 41 -3.204 4.797 -4.590 249 HB3 TRP 41 2HB TRP 41 -1.446 4.869 -4.657 250 HD1 TRP 41 HD TRP 41 -4.439 5.168 -6.812 251 HE1 TRP 41 1HE TRP 41 -3.756 5.267 -9.292 252 HE3 TRP 41 3HE TRP 41 0.445 3.723 -6.368 253 HZ2 TRP 41 2HZ TRP 41 -1.452 4.794 -10.853 254 HZ3 TRP 41 3HZ TRP 41 1.820 3.571 -8.403 255 HH2 TRP 41 HH TRP 41 0.889 4.095 -10.598 256 H PHE 42 H PHE 42 -0.065 1.804 -3.897 257 HA PHE 42 HA PHE 42 -0.180 2.771 -1.148 258 HB2 PHE 42 1HB PHE 42 0.149 -0.165 -1.801 259 HB3 PHE 42 2HB PHE 42 0.195 0.557 -0.196 260 HD1 PHE 42 1HD PHE 42 -2.044 0.247 -3.156 261 HD2 PHE 42 2HD PHE 42 -1.725 0.588 1.074 262 HE1 PHE 42 1HE PHE 42 -4.475 -0.068 -2.952 263 HE2 PHE 42 2HE PHE 42 -4.156 0.273 1.286 264 HZ PHE 42 HZ PHE 42 -5.534 -0.057 -0.728 265 H HIS 43 H HIS 43 1.876 2.237 0.041 266 HA HIS 43 HA HIS 43 4.126 2.637 -1.783 267 HB2 HIS 43 1HB HIS 43 4.003 2.934 1.225 268 HB3 HIS 43 2HB HIS 43 5.355 3.392 0.193 269 HD2 HIS 43 2HD HIS 43 4.726 5.617 -1.580 270 HE1 HIS 43 1HE HIS 43 1.596 6.995 0.931 271 HE2 HIS 43 2HE HIS 43 3.054 7.520 -1.055 272 H PHE 44 H PHE 44 5.606 1.120 -2.162 273 HA PHE 44 HA PHE 44 5.399 -1.512 -1.666 274 HB2 PHE 44 1HB PHE 44 7.814 0.228 -1.998 275 HB3 PHE 44 2HB PHE 44 8.026 -1.486 -1.653 276 HD1 PHE 44 2HD PHE 44 5.383 0.088 -3.717 277 HD2 PHE 44 1HD PHE 44 8.917 -2.283 -3.658 278 HE1 PHE 44 2HE PHE 44 5.073 -0.427 -6.103 279 HE2 PHE 44 1HE PHE 44 8.614 -2.801 -6.044 280 HZ PHE 44 HZ PHE 44 6.689 -1.873 -7.269 281 H ALA 45 H ALA 45 7.583 0.505 0.308 282 HA ALA 45 HA ALA 45 8.182 -1.293 2.281 283 HB1 ALA 45 1HB ALA 45 9.368 0.498 2.853 284 HB2 ALA 45 2HB ALA 45 8.270 1.579 1.993 285 HB3 ALA 45 3HB ALA 45 7.921 1.108 3.657 286 H CYS 46 H CYS 46 5.546 1.109 2.477 287 HA CYS 46 HA CYS 46 4.408 0.400 4.850 288 HB2 CYS 46 1HB CYS 46 3.259 1.436 2.290 289 HB3 CYS 46 2HB CYS 46 2.164 0.972 3.588 290 H VAL 47 H VAL 47 3.530 -0.992 1.686 291 HA VAL 47 HA VAL 47 1.980 -3.080 2.955 292 HB VAL 47 HB VAL 47 1.578 -3.887 0.655 293 HG11 VAL 47 1HG1 VAL 47 1.153 -0.912 0.775 294 HG12 VAL 47 2HG1 VAL 47 0.136 -2.133 0.006 295 HG13 VAL 47 3HG1 VAL 47 0.238 -2.048 1.765 296 HG21 VAL 47 1HG2 VAL 47 2.526 -2.933 -1.240 297 HG22 VAL 47 2HG2 VAL 47 3.033 -1.481 -0.378 298 HG23 VAL 47 3HG2 VAL 47 3.882 -3.004 -0.115 299 H GLY 48 H GLY 48 4.876 -2.940 3.475 300 HA2 GLY 48 1HA GLY 48 6.799 -4.248 3.301 301 HA3 GLY 48 2HA GLY 48 5.637 -5.469 3.797 302 H LEU 49 H LEU 49 6.439 -3.758 0.769 303 HA LEU 49 HA LEU 49 6.392 -6.373 -0.587 304 HB2 LEU 49 1HB LEU 49 5.443 -3.678 -1.361 305 HB3 LEU 49 2HB LEU 49 6.168 -4.662 -2.631 306 HG LEU 49 HG LEU 49 3.837 -5.536 -0.929 307 HD11 LEU 49 1HD1 LEU 49 2.395 -4.591 -2.356 308 HD12 LEU 49 2HD1 LEU 49 3.389 -4.966 -3.764 309 HD13 LEU 49 3HD1 LEU 49 3.749 -3.545 -2.784 310 HD21 LEU 49 1HD2 LEU 49 5.214 -7.344 -1.882 311 HD22 LEU 49 2HD2 LEU 49 4.963 -6.664 -3.490 312 HD23 LEU 49 3HD2 LEU 49 3.593 -7.293 -2.575 313 H THR 50 H THR 50 8.002 -3.212 -0.525 314 HA THR 50 HA THR 50 10.005 -2.532 -1.441 315 HB THR 50 HB THR 50 11.926 -3.750 -0.520 316 HG1 THR 50 1HG THR 50 10.311 -5.828 -0.658 317 HG21 THR 50 1HG2 THR 50 9.785 -3.747 1.590 318 HG22 THR 50 2HG2 THR 50 10.396 -2.249 0.889 319 HG23 THR 50 3HG2 THR 50 11.491 -3.331 1.749 320 H THR 51 H THR 51 8.406 -4.305 -3.193 321 HA THR 51 HA THR 51 10.395 -4.747 -5.193 322 HB THR 51 HB THR 51 8.982 -7.240 -4.248 323 HG1 THR 51 1HG THR 51 10.582 -7.583 -2.894 324 HG21 THR 51 1HG2 THR 51 9.646 -7.337 -6.556 325 HG22 THR 51 2HG2 THR 51 10.763 -8.330 -5.620 326 HG23 THR 51 3HG2 THR 51 11.254 -6.727 -6.167 327 H LYS 52 H LYS 52 9.447 -5.571 -7.223 328 HA LYS 52 HA LYS 52 6.681 -4.645 -7.476 329 HB2 LYS 52 1HB LYS 52 8.758 -3.914 -8.945 330 HB3 LYS 52 2HB LYS 52 8.360 -5.377 -9.836 331 HG2 LYS 52 1HG LYS 52 6.113 -4.544 -10.238 332 HG3 LYS 52 2HG LYS 52 6.471 -3.092 -9.300 333 HD2 LYS 52 1HD LYS 52 7.971 -2.286 -10.907 334 HD3 LYS 52 2HD LYS 52 8.133 -3.866 -11.678 335 HE2 LYS 52 1HE LYS 52 6.000 -3.718 -12.663 336 HE3 LYS 52 2HE LYS 52 5.523 -2.377 -11.622 337 HZ1 LYS 52 1HZ LYS 52 7.835 -1.700 -13.109 338 HZ2 LYS 52 2HZ LYS 52 6.324 -0.941 -13.085 339 HZ3 LYS 52 3HZ LYS 52 6.611 -2.219 -14.155 340 HA PRO 53 HA PRO 53 5.679 -9.043 -7.592 341 HB2 PRO 53 1HB PRO 53 3.007 -8.663 -7.296 342 HB3 PRO 53 2HB PRO 53 4.139 -8.625 -5.939 343 HG2 PRO 53 1HG PRO 53 2.929 -6.348 -7.460 344 HG3 PRO 53 2HG PRO 53 3.163 -6.526 -5.712 345 HD2 PRO 53 1HD PRO 53 4.822 -5.049 -7.261 346 HD3 PRO 53 2HD PRO 53 5.385 -5.921 -5.821 347 H ARG 54 H ARG 54 6.299 -9.129 -9.846 348 HA ARG 54 HA ARG 54 4.790 -8.154 -11.977 349 HB2 ARG 54 1HB ARG 54 6.804 -10.315 -11.631 350 HB3 ARG 54 2HB ARG 54 5.837 -10.343 -13.099 351 HG2 ARG 54 1HG ARG 54 7.408 -7.950 -12.178 352 HG3 ARG 54 2HG ARG 54 8.021 -9.162 -13.305 353 HD2 ARG 54 1HD ARG 54 5.389 -7.909 -13.886 354 HD3 ARG 54 2HD ARG 54 6.841 -6.940 -14.135 355 HE ARG 54 HE ARG 54 6.883 -9.568 -15.344 356 HH11 ARG 54 2HH1 ARG 54 6.169 -6.185 -15.744 357 HH12 ARG 54 1HH1 ARG 54 6.286 -6.230 -17.472 358 HH21 ARG 54 2HH2 ARG 54 7.039 -9.642 -17.618 359 HH22 ARG 54 1HH2 ARG 54 6.780 -8.198 -18.537 360 H GLY 55 H GLY 55 3.021 -8.852 -13.063 361 HA2 GLY 55 1HA GLY 55 1.586 -10.689 -13.776 362 HA3 GLY 55 2HA GLY 55 1.814 -11.400 -12.185 363 H LYS 56 H LYS 56 0.716 -10.512 -10.394 364 HA LYS 56 HA LYS 56 -1.164 -8.356 -10.802 365 HB2 LYS 56 1HB LYS 56 -3.153 -9.653 -10.267 366 HB3 LYS 56 2HB LYS 56 -2.385 -10.289 -11.716 367 HG2 LYS 56 1HG LYS 56 -1.444 -12.122 -10.468 368 HG3 LYS 56 2HG LYS 56 -2.064 -11.453 -8.957 369 HD2 LYS 56 1HD LYS 56 -4.249 -12.011 -9.453 370 HD3 LYS 56 2HD LYS 56 -3.957 -12.037 -11.194 371 HE2 LYS 56 1HE LYS 56 -2.536 -14.022 -9.493 372 HE3 LYS 56 2HE LYS 56 -4.256 -14.263 -9.795 373 HZ1 LYS 56 1HZ LYS 56 -3.735 -14.053 -12.206 374 HZ2 LYS 56 2HZ LYS 56 -3.059 -15.416 -11.467 375 HZ3 LYS 56 3HZ LYS 56 -2.090 -14.073 -11.811 376 H TRP 57 H TRP 57 -1.573 -7.298 -8.942 377 HA TRP 57 HA TRP 57 -0.885 -8.636 -6.412 378 HB2 TRP 57 1HB TRP 57 0.973 -7.189 -6.928 379 HB3 TRP 57 2HB TRP 57 -0.111 -5.846 -7.282 380 HD1 TRP 57 HD TRP 57 1.380 -7.794 -4.343 381 HE1 TRP 57 1HE TRP 57 1.052 -6.415 -2.194 382 HE3 TRP 57 3HE TRP 57 -1.592 -4.076 -6.209 383 HZ2 TRP 57 2HZ TRP 57 -0.288 -4.063 -1.396 384 HZ3 TRP 57 3HZ TRP 57 -2.354 -2.299 -4.686 385 HH2 TRP 57 HH TRP 57 -1.715 -2.295 -2.330 386 H PHE 58 H PHE 58 -2.073 -8.011 -4.596 387 HA PHE 58 HA PHE 58 -4.337 -6.202 -5.080 388 HB2 PHE 58 1HB PHE 58 -4.543 -8.852 -3.638 389 HB3 PHE 58 2HB PHE 58 -5.857 -7.723 -3.951 390 HD1 PHE 58 1HD PHE 58 -3.543 -10.135 -5.482 391 HD2 PHE 58 2HD PHE 58 -6.947 -7.648 -6.064 392 HE1 PHE 58 1HE PHE 58 -4.010 -11.278 -7.610 393 HE2 PHE 58 2HE PHE 58 -7.420 -8.787 -8.193 394 HZ PHE 58 HZ PHE 58 -5.951 -10.606 -8.968 395 H CYS 59 H CYS 59 -4.510 -4.679 -3.578 396 HA CYS 59 HA CYS 59 -2.745 -4.298 -1.498 397 HB2 CYS 59 1HB CYS 59 -4.142 -2.535 -0.761 398 HB3 CYS 59 2HB CYS 59 -4.391 -2.632 -2.502 399 HA PRO 60 HA PRO 60 -3.912 -6.943 1.804 400 HB2 PRO 60 1HB PRO 60 -3.335 -5.392 3.955 401 HB3 PRO 60 2HB PRO 60 -2.089 -6.131 2.942 402 HG2 PRO 60 1HG PRO 60 -3.148 -3.331 2.902 403 HG3 PRO 60 2HG PRO 60 -1.471 -3.895 2.777 404 HD2 PRO 60 1HD PRO 60 -2.922 -3.148 0.616 405 HD3 PRO 60 2HD PRO 60 -1.680 -4.414 0.542 406 H ARG 61 H ARG 61 -5.760 -4.425 0.886 407 HA ARG 61 HA ARG 61 -7.602 -4.625 3.169 408 HB2 ARG 61 1HB ARG 61 -7.375 -2.563 0.973 409 HB3 ARG 61 2HB ARG 61 -8.684 -2.599 2.146 410 HG2 ARG 61 1HG ARG 61 -7.242 -2.091 3.931 411 HG3 ARG 61 2HG ARG 61 -5.804 -2.446 2.972 412 HD2 ARG 61 1HD ARG 61 -6.006 -0.070 3.159 413 HD3 ARG 61 2HD ARG 61 -6.395 -0.525 1.500 414 HE ARG 61 HE ARG 61 -8.566 0.167 1.840 415 HH11 ARG 61 2HH1 ARG 61 -6.853 0.093 4.869 416 HH12 ARG 61 1HH1 ARG 61 -8.092 0.934 5.740 417 HH21 ARG 61 2HH2 ARG 61 -10.205 1.275 2.975 418 HH22 ARG 61 1HH2 ARG 61 -9.999 1.605 4.662 419 H CYS 62 H CYS 62 -7.201 -5.348 -0.186 420 HA CYS 62 HA CYS 62 -10.039 -5.962 -0.524 421 HB2 CYS 62 1HB CYS 62 -7.727 -5.958 -2.473 422 HB3 CYS 62 2HB CYS 62 -9.368 -6.436 -2.897 423 H SER 63 H SER 63 -6.878 -7.567 -0.836 424 HA SER 63 HA SER 63 -7.766 -10.126 -1.426 425 HB2 SER 63 1HB SER 63 -5.421 -9.596 -1.577 426 HB3 SER 63 2HB SER 63 -5.341 -9.232 0.147 427 HG SER 63 HG SER 63 -6.211 -11.771 -0.643 428 H GLN 64 H GLN 64 -6.896 -8.865 1.797 429 HA GLN 64 HA GLN 64 -7.629 -9.398 3.884 430 HB2 GLN 64 1HB GLN 64 -9.872 -9.048 2.775 431 HB3 GLN 64 2HB GLN 64 -9.945 -10.789 2.537 432 HG2 GLN 64 1HG GLN 64 -11.198 -9.985 4.514 433 HG3 GLN 64 2HG GLN 64 -9.960 -11.183 4.888 434 HE21 GLN 64 1HE2 GLN 64 -9.779 -10.551 7.019 435 HE22 GLN 64 2HE2 GLN 64 -9.049 -9.058 7.490 436 H GLU 65 H GLU 65 -5.733 -11.061 2.709 437 HA GLU 65 HA GLU 65 -6.528 -13.757 3.568 438 HB2 GLU 65 1HB GLU 65 -5.450 -13.134 1.226 439 HB3 GLU 65 2HB GLU 65 -3.956 -13.246 2.146 440 HG2 GLU 65 1HG GLU 65 -5.045 -15.534 2.918 441 HG3 GLU 65 2HG GLU 65 -5.876 -15.364 1.373 442 H SER 66 H SER 66 -4.915 -15.036 4.739 443 HA SER 66 HA SER 66 -4.018 -13.755 7.051 444 HB2 SER 66 1HB SER 66 -4.475 -16.183 6.903 445 HB3 SER 66 2HB SER 66 -3.036 -16.380 5.901 446 HG SER 66 HG SER 66 -2.950 -15.240 8.490 447 H GLY 67 H GLY 67 -2.294 -12.544 7.471 448 HA2 GLY 67 1HA GLY 67 0.316 -13.000 6.669 449 HA3 GLY 67 2HA GLY 67 -0.379 -11.935 5.456 450 HA PRO 68 HA PRO 68 1.082 -8.729 8.160 451 HB2 PRO 68 1HB PRO 68 0.172 -6.653 6.666 452 HB3 PRO 68 2HB PRO 68 1.619 -7.577 6.246 453 HG2 PRO 68 1HG PRO 68 -1.161 -7.818 5.164 454 HG3 PRO 68 2HG PRO 68 0.384 -7.850 4.295 455 HD2 PRO 68 1HD PRO 68 -0.993 -10.101 4.902 456 HD3 PRO 68 2HD PRO 68 0.780 -10.057 4.826 457 H SER 69 H SER 69 -0.334 -9.171 9.912 458 HA SER 69 HA SER 69 -3.058 -8.652 10.024 459 HB2 SER 69 1HB SER 69 -1.691 -9.840 11.771 460 HB3 SER 69 2HB SER 69 -1.121 -8.263 12.316 461 HG SER 69 HG SER 69 -2.944 -9.032 13.503 462 H SER 70 H SER 70 -4.285 -6.875 10.222 463 HA SER 70 HA SER 70 -4.815 -4.660 9.976 464 HB2 SER 70 1HB SER 70 -2.861 -4.466 12.282 465 HB3 SER 70 2HB SER 70 -4.079 -3.261 11.863 466 HG SER 70 HG SER 70 -4.352 -5.673 13.164 467 H GLY 71 H GLY 71 -3.037 -5.288 8.044 468 HA2 GLY 71 1HA GLY 71 -1.775 -2.756 7.553 469 HA3 GLY 71 2HA GLY 71 -0.612 -4.040 7.847 Start of MODEL 17 1 H1 GLY 1 H GLY 1 17.872 17.391 22.832 2 HA2 GLY 1 1HA GLY 1 17.686 14.659 22.097 3 HA3 GLY 1 2HA GLY 1 16.235 15.147 22.960 4 H SER 2 H SER 2 15.786 14.314 20.509 5 HA SER 2 HA SER 2 16.097 15.897 18.310 6 HB2 SER 2 1HB SER 2 14.838 13.662 18.547 7 HB3 SER 2 2HB SER 2 13.425 14.647 18.925 8 HG SER 2 HG SER 2 13.270 14.550 16.798 9 H SER 3 H SER 3 13.542 16.215 20.762 10 HA SER 3 HA SER 3 12.195 17.952 21.346 11 HB2 SER 3 1HB SER 3 14.388 19.103 21.630 12 HB3 SER 3 2HB SER 3 14.269 19.673 19.966 13 HG SER 3 HG SER 3 13.124 21.248 20.725 14 H GLY 4 H GLY 4 11.496 16.595 19.026 15 HA2 GLY 4 1HA GLY 4 10.908 18.454 16.910 16 HA3 GLY 4 2HA GLY 4 10.355 16.789 17.022 17 H SER 5 H SER 5 8.344 17.733 16.174 18 HA SER 5 HA SER 5 6.733 18.943 18.326 19 HB2 SER 5 1HB SER 5 7.006 20.485 16.451 20 HB3 SER 5 2HB SER 5 6.422 19.255 15.329 21 HG SER 5 HG SER 5 4.450 19.734 15.865 22 H SER 6 H SER 6 4.425 18.385 18.289 23 HA SER 6 HA SER 6 3.964 15.675 17.226 24 HB2 SER 6 1HB SER 6 3.023 16.821 19.865 25 HB3 SER 6 2HB SER 6 2.558 15.245 19.227 26 HG SER 6 HG SER 6 4.717 15.868 20.632 27 H GLY 7 H GLY 7 2.118 15.337 16.117 28 HA2 GLY 7 1HA GLY 7 -0.337 16.524 16.403 29 HA3 GLY 7 2HA GLY 7 0.553 17.611 15.347 30 H ASP 8 H ASP 8 -1.609 15.187 15.326 31 HA ASP 8 HA ASP 8 -0.768 13.369 13.401 32 HB2 ASP 8 1HB ASP 8 -2.839 13.107 14.700 33 HB3 ASP 8 2HB ASP 8 -3.560 14.457 13.827 34 H MET 9 H MET 9 -0.104 13.675 11.390 35 HA MET 9 HA MET 9 -0.121 16.053 9.997 36 HB2 MET 9 1HB MET 9 1.189 13.919 9.500 37 HB3 MET 9 2HB MET 9 -0.239 13.366 8.636 38 HG2 MET 9 1HG MET 9 1.087 14.261 6.968 39 HG3 MET 9 2HG MET 9 -0.050 15.559 7.324 40 HE1 MET 9 1HE MET 9 0.898 17.561 6.650 41 HE2 MET 9 2HE MET 9 2.521 18.182 6.956 42 HE3 MET 9 3HE MET 9 2.281 16.875 5.796 43 HA PRO 10 HA PRO 10 -4.485 16.325 9.027 44 HB2 PRO 10 1HB PRO 10 -4.330 18.786 7.892 45 HB3 PRO 10 2HB PRO 10 -4.341 18.534 9.642 46 HG2 PRO 10 1HG PRO 10 -2.023 19.028 7.814 47 HG3 PRO 10 2HG PRO 10 -2.351 19.715 9.415 48 HD2 PRO 10 1HD PRO 10 -0.615 17.673 9.035 49 HD3 PRO 10 2HD PRO 10 -1.579 17.843 10.516 50 H VAL 11 H VAL 11 -5.669 17.081 6.953 51 HA VAL 11 HA VAL 11 -4.265 15.904 4.648 52 HB VAL 11 HB VAL 11 -6.488 15.425 3.712 53 HG11 VAL 11 1HG1 VAL 11 -5.982 14.368 6.489 54 HG12 VAL 11 2HG1 VAL 11 -7.146 13.675 5.358 55 HG13 VAL 11 3HG1 VAL 11 -5.427 13.678 4.964 56 HG21 VAL 11 1HG2 VAL 11 -7.696 17.267 4.808 57 HG22 VAL 11 2HG2 VAL 11 -8.497 15.713 5.041 58 HG23 VAL 11 3HG2 VAL 11 -7.554 16.424 6.351 59 H ASP 12 H ASP 12 -5.207 16.725 2.493 60 HA ASP 12 HA ASP 12 -6.263 19.347 2.339 61 HB2 ASP 12 1HB ASP 12 -3.303 19.037 2.340 62 HB3 ASP 12 2HB ASP 12 -3.999 20.157 1.172 63 HA PRO 13 HA PRO 13 -7.076 17.964 -1.748 64 HB2 PRO 13 1HB PRO 13 -7.399 20.336 -3.028 65 HB3 PRO 13 2HB PRO 13 -8.589 19.688 -1.892 66 HG2 PRO 13 1HG PRO 13 -6.472 21.756 -1.443 67 HG3 PRO 13 2HG PRO 13 -8.160 21.746 -0.899 68 HD2 PRO 13 1HD PRO 13 -6.100 21.080 0.729 69 HD3 PRO 13 2HD PRO 13 -7.710 20.347 0.877 70 H ASN 14 H ASN 14 -4.683 20.577 -1.476 71 HA ASN 14 HA ASN 14 -3.504 20.581 -3.915 72 HB2 ASN 14 1HB ASN 14 -1.287 20.897 -2.595 73 HB3 ASN 14 2HB ASN 14 -2.579 22.075 -2.381 74 HD21 ASN 14 1HD2 ASN 14 -3.069 22.576 -0.377 75 HD22 ASN 14 2HD2 ASN 14 -2.756 21.609 1.020 76 H GLU 15 H GLU 15 -2.570 18.374 -1.272 77 HA GLU 15 HA GLU 15 -1.458 16.563 -3.315 78 HB2 GLU 15 1HB GLU 15 -0.524 17.300 -0.577 79 HB3 GLU 15 2HB GLU 15 -0.204 15.672 -1.160 80 HG2 GLU 15 1HG GLU 15 1.176 16.415 -2.867 81 HG3 GLU 15 2HG GLU 15 0.515 18.049 -2.823 82 HA PRO 16 HA PRO 16 -4.914 14.067 -1.876 83 HB2 PRO 16 1HB PRO 16 -4.703 12.228 -3.862 84 HB3 PRO 16 2HB PRO 16 -5.483 13.799 -4.085 85 HG2 PRO 16 1HG PRO 16 -2.715 12.936 -4.830 86 HG3 PRO 16 2HG PRO 16 -3.874 13.904 -5.760 87 HD2 PRO 16 1HD PRO 16 -1.818 15.012 -4.389 88 HD3 PRO 16 2HD PRO 16 -3.375 15.837 -4.608 89 H THR 17 H THR 17 -4.989 12.282 -0.606 90 HA THR 17 HA THR 17 -2.479 10.785 -0.264 91 HB THR 17 HB THR 17 -3.517 10.118 1.969 92 HG1 THR 17 1HG THR 17 -5.028 12.371 2.114 93 HG21 THR 17 1HG2 THR 17 -3.183 12.671 2.772 94 HG22 THR 17 2HG2 THR 17 -2.427 12.747 1.180 95 HG23 THR 17 3HG2 THR 17 -1.846 11.591 2.379 96 H TYR 18 H TYR 18 -2.419 8.660 -0.662 97 HA TYR 18 HA TYR 18 -4.967 7.310 -1.263 98 HB2 TYR 18 1HB TYR 18 -2.219 6.549 -2.265 99 HB3 TYR 18 2HB TYR 18 -3.762 5.886 -2.791 100 HD1 TYR 18 1HD TYR 18 -1.968 9.158 -2.582 101 HD2 TYR 18 2HD TYR 18 -4.718 6.719 -4.725 102 HE1 TYR 18 1HE TYR 18 -2.085 10.858 -4.355 103 HE2 TYR 18 2HE TYR 18 -4.842 8.413 -6.504 104 HH TYR 18 HH TYR 18 -3.565 10.254 -7.387 105 H CYS 19 H CYS 19 -1.678 6.212 -0.444 106 HA CYS 19 HA CYS 19 -2.221 3.846 0.739 107 HB2 CYS 19 1HB CYS 19 0.053 4.743 0.458 108 HB3 CYS 19 2HB CYS 19 -0.232 5.879 1.772 109 H LEU 20 H LEU 20 -2.281 3.195 3.041 110 HA LEU 20 HA LEU 20 -4.472 4.378 4.364 111 HB2 LEU 20 1HB LEU 20 -2.399 2.470 5.434 112 HB3 LEU 20 2HB LEU 20 -3.942 2.841 6.200 113 HG LEU 20 HG LEU 20 -4.842 1.981 3.832 114 HD11 LEU 20 1HD1 LEU 20 -2.866 1.423 2.741 115 HD12 LEU 20 2HD1 LEU 20 -3.433 -0.121 3.375 116 HD13 LEU 20 3HD1 LEU 20 -2.137 0.747 4.197 117 HD21 LEU 20 1HD2 LEU 20 -5.828 0.732 5.390 118 HD22 LEU 20 2HD2 LEU 20 -4.434 0.834 6.466 119 HD23 LEU 20 3HD2 LEU 20 -4.485 -0.395 5.202 120 H CYS 21 H CYS 21 -0.994 4.684 4.773 121 HA CYS 21 HA CYS 21 -0.930 5.996 7.233 122 HB2 CYS 21 1HB CYS 21 1.248 6.935 6.441 123 HB3 CYS 21 2HB CYS 21 1.108 5.192 6.233 124 H HIS 22 H HIS 22 -2.291 7.021 4.335 125 HA HIS 22 HA HIS 22 -3.249 8.970 3.656 126 HB2 HIS 22 1HB HIS 22 -2.876 9.602 6.583 127 HB3 HIS 22 2HB HIS 22 -3.672 10.707 5.466 128 HD1 HIS 22 1HD HIS 22 -5.842 9.609 4.209 129 HD2 HIS 22 2HD HIS 22 -4.540 7.778 7.704 130 HE1 HIS 22 1HE HIS 22 -7.776 8.206 4.994 131 HE2 HIS 22 2HE HIS 22 -6.995 7.175 7.155 132 H GLN 23 H GLN 23 -0.615 8.700 3.011 133 HA GLN 23 HA GLN 23 0.550 11.355 3.512 134 HB2 GLN 23 1HB GLN 23 1.818 8.735 2.723 135 HB3 GLN 23 2HB GLN 23 2.677 10.267 2.650 136 HG2 GLN 23 1HG GLN 23 1.828 10.416 5.161 137 HG3 GLN 23 2HG GLN 23 1.848 8.662 4.992 138 HE21 GLN 23 1HE2 GLN 23 3.662 7.745 5.593 139 HE22 GLN 23 2HE2 GLN 23 5.237 8.454 5.535 140 H VAL 24 H VAL 24 2.206 11.763 1.497 141 HA VAL 24 HA VAL 24 0.412 12.054 -0.786 142 HB VAL 24 HB VAL 24 1.946 13.680 -1.640 143 HG11 VAL 24 1HG1 VAL 24 1.498 15.318 -0.141 144 HG12 VAL 24 2HG1 VAL 24 0.524 14.045 0.598 145 HG13 VAL 24 3HG1 VAL 24 2.136 14.399 1.221 146 HG21 VAL 24 1HG2 VAL 24 4.046 14.187 -0.251 147 HG22 VAL 24 2HG2 VAL 24 3.820 12.575 0.427 148 HG23 VAL 24 3HG2 VAL 24 4.075 12.774 -1.307 149 H SER 25 H SER 25 1.378 11.798 -2.991 150 HA SER 25 HA SER 25 2.261 9.158 -3.366 151 HB2 SER 25 1HB SER 25 1.043 10.738 -5.015 152 HB3 SER 25 2HB SER 25 2.657 11.317 -5.425 153 HG SER 25 HG SER 25 2.686 9.661 -6.715 154 H TYR 26 H TYR 26 4.195 8.338 -2.965 155 HA TYR 26 HA TYR 26 6.588 9.578 -3.934 156 HB2 TYR 26 1HB TYR 26 7.672 10.104 -1.926 157 HB3 TYR 26 2HB TYR 26 6.041 10.718 -1.684 158 HD1 TYR 26 1HD TYR 26 8.213 7.781 -0.971 159 HD2 TYR 26 2HD TYR 26 4.791 10.038 0.169 160 HE1 TYR 26 1HE TYR 26 8.022 6.443 1.084 161 HE2 TYR 26 2HE TYR 26 4.591 8.706 2.227 162 HH TYR 26 HH TYR 26 5.847 5.874 2.713 163 H GLY 27 H GLY 27 8.552 8.250 -3.311 164 HA2 GLY 27 1HA GLY 27 9.589 6.203 -3.458 165 HA3 GLY 27 2HA GLY 27 8.490 5.743 -2.166 166 H GLU 28 H GLU 28 9.056 3.690 -3.579 167 HA GLU 28 HA GLU 28 7.722 3.308 -6.027 168 HB2 GLU 28 1HB GLU 28 8.500 1.267 -3.937 169 HB3 GLU 28 2HB GLU 28 8.029 0.897 -5.590 170 HG2 GLU 28 1HG GLU 28 10.503 2.279 -4.617 171 HG3 GLU 28 2HG GLU 28 10.365 0.804 -5.573 172 H MET 29 H MET 29 5.680 2.767 -6.536 173 HA MET 29 HA MET 29 3.858 1.922 -4.402 174 HB2 MET 29 1HB MET 29 3.359 4.206 -6.316 175 HB3 MET 29 2HB MET 29 2.121 3.482 -5.298 176 HG2 MET 29 1HG MET 29 3.537 4.084 -3.318 177 HG3 MET 29 2HG MET 29 4.561 4.999 -4.422 178 HE1 MET 29 1HE MET 29 0.620 4.523 -4.110 179 HE2 MET 29 2HE MET 29 1.246 4.790 -2.483 180 HE3 MET 29 3HE MET 29 0.228 6.011 -3.248 181 H ILE 30 H ILE 30 1.734 1.159 -5.321 182 HA ILE 30 HA ILE 30 2.008 0.091 -8.041 183 HB ILE 30 HB ILE 30 1.506 -2.106 -7.461 184 HG12 ILE 30 1HG1 ILE 30 -0.373 -1.500 -5.927 185 HG13 ILE 30 2HG1 ILE 30 0.611 -2.837 -5.343 186 HG21 ILE 30 1HG2 ILE 30 3.769 -1.684 -6.871 187 HG22 ILE 30 2HG2 ILE 30 3.300 -0.961 -5.333 188 HG23 ILE 30 3HG2 ILE 30 3.085 -2.692 -5.595 189 HD11 ILE 30 1HD1 ILE 30 0.580 0.001 -4.372 190 HD12 ILE 30 2HD1 ILE 30 0.175 -1.468 -3.483 191 HD13 ILE 30 3HD1 ILE 30 1.848 -1.146 -3.941 192 H GLY 31 H GLY 31 -0.139 -0.995 -8.713 193 HA2 GLY 31 1HA GLY 31 -2.378 0.634 -7.677 194 HA3 GLY 31 2HA GLY 31 -2.150 0.330 -9.393 195 H CYS 32 H CYS 32 -3.550 -0.772 -6.504 196 HA CYS 32 HA CYS 32 -3.791 -3.449 -6.611 197 HB2 CYS 32 1HB CYS 32 -4.998 -1.840 -5.057 198 HB3 CYS 32 2HB CYS 32 -6.230 -1.695 -6.307 199 H ASP 33 H ASP 33 -5.234 -4.963 -7.580 200 HA ASP 33 HA ASP 33 -6.051 -4.169 -10.292 201 HB2 ASP 33 1HB ASP 33 -5.047 -6.736 -9.122 202 HB3 ASP 33 2HB ASP 33 -6.077 -6.785 -10.550 203 H ASN 34 H ASN 34 -7.660 -3.697 -7.926 204 HA ASN 34 HA ASN 34 -9.941 -5.468 -8.517 205 HB2 ASN 34 1HB ASN 34 -8.839 -5.474 -6.149 206 HB3 ASN 34 2HB ASN 34 -9.700 -3.952 -5.938 207 HD21 ASN 34 1HD2 ASN 34 -11.386 -4.339 -4.698 208 HD22 ASN 34 2HD2 ASN 34 -12.514 -5.633 -4.895 209 HA PRO 35 HA PRO 35 -11.875 -1.777 -10.029 210 HB2 PRO 35 1HB PRO 35 -14.355 -2.830 -10.362 211 HB3 PRO 35 2HB PRO 35 -13.015 -3.159 -11.467 212 HG2 PRO 35 1HG PRO 35 -14.076 -4.834 -9.225 213 HG3 PRO 35 2HG PRO 35 -13.576 -5.330 -10.852 214 HD2 PRO 35 1HD PRO 35 -11.989 -5.645 -8.681 215 HD3 PRO 35 2HD PRO 35 -11.337 -5.328 -10.302 216 H ASP 36 H ASP 36 -12.799 -3.532 -7.195 217 HA ASP 36 HA ASP 36 -14.789 -1.600 -6.365 218 HB2 ASP 36 1HB ASP 36 -14.878 -4.091 -5.847 219 HB3 ASP 36 2HB ASP 36 -13.588 -3.799 -4.683 220 H CYS 37 H CYS 37 -11.406 -2.170 -5.939 221 HA CYS 37 HA CYS 37 -10.899 -0.891 -3.527 222 HB2 CYS 37 1HB CYS 37 -9.319 -2.128 -5.242 223 HB3 CYS 37 2HB CYS 37 -9.026 -0.493 -5.825 224 H SER 38 H SER 38 -11.008 1.149 -2.850 225 HA SER 38 HA SER 38 -11.897 3.198 -4.690 226 HB2 SER 38 1HB SER 38 -12.787 2.849 -2.315 227 HB3 SER 38 2HB SER 38 -11.281 3.579 -1.760 228 HG SER 38 HG SER 38 -13.488 4.752 -2.858 229 H ILE 39 H ILE 39 -9.108 2.619 -2.580 230 HA ILE 39 HA ILE 39 -7.765 5.020 -3.412 231 HB ILE 39 HB ILE 39 -6.726 2.637 -1.874 232 HG12 ILE 39 1HG1 ILE 39 -7.249 5.330 -0.685 233 HG13 ILE 39 2HG1 ILE 39 -8.612 4.253 -0.972 234 HG21 ILE 39 1HG2 ILE 39 -4.700 3.587 -1.760 235 HG22 ILE 39 2HG2 ILE 39 -5.215 4.494 -3.181 236 HG23 ILE 39 3HG2 ILE 39 -5.366 5.210 -1.577 237 HD11 ILE 39 1HD1 ILE 39 -7.771 4.068 1.305 238 HD12 ILE 39 2HD1 ILE 39 -7.575 2.554 0.421 239 HD13 ILE 39 3HD1 ILE 39 -6.185 3.607 0.686 240 H GLU 40 H GLU 40 -6.946 1.562 -3.769 241 HA GLU 40 HA GLU 40 -5.781 0.433 -5.364 242 HB2 GLU 40 1HB GLU 40 -7.665 1.385 -6.754 243 HB3 GLU 40 2HB GLU 40 -6.566 2.674 -7.227 244 HG2 GLU 40 1HG GLU 40 -5.084 1.094 -8.272 245 HG3 GLU 40 2HG GLU 40 -6.060 -0.255 -7.693 246 H TRP 41 H TRP 41 -4.269 2.095 -3.730 247 HA TRP 41 HA TRP 41 -1.879 2.315 -5.248 248 HB2 TRP 41 1HB TRP 41 -3.417 4.813 -4.633 249 HB3 TRP 41 2HB TRP 41 -1.656 4.855 -4.639 250 HD1 TRP 41 HD TRP 41 -4.602 4.999 -6.921 251 HE1 TRP 41 1HE TRP 41 -3.816 5.069 -9.371 252 HE3 TRP 41 3HE TRP 41 0.325 3.824 -6.228 253 HZ2 TRP 41 2HZ TRP 41 -1.425 4.678 -10.819 254 HZ3 TRP 41 3HZ TRP 41 1.794 3.691 -8.197 255 HH2 TRP 41 HH TRP 41 0.935 4.109 -10.444 256 H PHE 42 H PHE 42 -0.291 1.817 -3.895 257 HA PHE 42 HA PHE 42 -0.337 2.821 -1.156 258 HB2 PHE 42 1HB PHE 42 0.025 -0.118 -1.774 259 HB3 PHE 42 2HB PHE 42 0.066 0.631 -0.181 260 HD1 PHE 42 1HD PHE 42 -2.122 -0.135 -3.059 261 HD2 PHE 42 2HD PHE 42 -1.908 1.009 1.035 262 HE1 PHE 42 1HE PHE 42 -4.546 -0.496 -2.835 263 HE2 PHE 42 2HE PHE 42 -4.331 0.649 1.266 264 HZ PHE 42 HZ PHE 42 -5.653 -0.105 -0.670 265 H HIS 43 H HIS 43 1.784 1.851 -0.030 266 HA HIS 43 HA HIS 43 3.975 2.454 -1.896 267 HB2 HIS 43 1HB HIS 43 3.949 2.627 1.125 268 HB3 HIS 43 2HB HIS 43 5.274 3.112 0.070 269 HD2 HIS 43 2HD HIS 43 4.710 5.461 -1.500 270 HE1 HIS 43 1HE HIS 43 1.518 6.691 1.009 271 HE2 HIS 43 2HE HIS 43 3.034 7.337 -0.895 272 H PHE 44 H PHE 44 5.810 1.165 -1.973 273 HA PHE 44 HA PHE 44 5.472 -1.580 -1.709 274 HB2 PHE 44 1HB PHE 44 7.876 0.181 -2.040 275 HB3 PHE 44 2HB PHE 44 8.090 -1.546 -1.770 276 HD1 PHE 44 2HD PHE 44 5.413 0.131 -3.709 277 HD2 PHE 44 1HD PHE 44 8.921 -2.277 -3.822 278 HE1 PHE 44 2HE PHE 44 5.045 -0.285 -6.105 279 HE2 PHE 44 1HE PHE 44 8.560 -2.696 -6.220 280 HZ PHE 44 HZ PHE 44 6.619 -1.701 -7.364 281 H ALA 45 H ALA 45 7.016 0.727 0.484 282 HA ALA 45 HA ALA 45 7.923 -1.198 2.356 283 HB1 ALA 45 1HB ALA 45 7.318 1.446 3.448 284 HB2 ALA 45 2HB ALA 45 8.840 0.554 3.405 285 HB3 ALA 45 3HB ALA 45 8.320 1.481 1.997 286 H CYS 46 H CYS 46 5.097 0.973 2.368 287 HA CYS 46 HA CYS 46 3.980 0.200 4.779 288 HB2 CYS 46 1HB CYS 46 2.906 1.352 2.252 289 HB3 CYS 46 2HB CYS 46 1.746 0.713 3.411 290 H VAL 47 H VAL 47 3.366 -1.164 1.550 291 HA VAL 47 HA VAL 47 1.654 -3.229 2.550 292 HB VAL 47 HB VAL 47 1.809 -4.171 0.264 293 HG11 VAL 47 1HG1 VAL 47 0.179 -2.401 0.855 294 HG12 VAL 47 2HG1 VAL 47 1.324 -1.195 0.266 295 HG13 VAL 47 3HG1 VAL 47 0.641 -2.382 -0.846 296 HG21 VAL 47 1HG2 VAL 47 3.030 -2.203 -1.225 297 HG22 VAL 47 2HG2 VAL 47 4.110 -2.388 0.157 298 HG23 VAL 47 3HG2 VAL 47 3.711 -3.784 -0.845 299 H GLY 48 H GLY 48 5.062 -2.974 1.720 300 HA2 GLY 48 1HA GLY 48 6.726 -4.325 2.740 301 HA3 GLY 48 2HA GLY 48 5.507 -5.556 3.036 302 H LEU 49 H LEU 49 5.988 -3.944 -0.046 303 HA LEU 49 HA LEU 49 6.543 -6.542 -1.258 304 HB2 LEU 49 1HB LEU 49 5.601 -3.899 -2.272 305 HB3 LEU 49 2HB LEU 49 6.349 -5.037 -3.390 306 HG LEU 49 HG LEU 49 3.956 -5.723 -1.694 307 HD11 LEU 49 1HD1 LEU 49 4.118 -4.032 -4.022 308 HD12 LEU 49 2HD1 LEU 49 2.731 -4.417 -3.004 309 HD13 LEU 49 3HD1 LEU 49 3.157 -5.474 -4.350 310 HD21 LEU 49 1HD2 LEU 49 5.663 -7.154 -3.555 311 HD22 LEU 49 2HD2 LEU 49 3.963 -7.216 -4.019 312 HD23 LEU 49 3HD2 LEU 49 4.462 -7.768 -2.420 313 H THR 50 H THR 50 8.646 -7.055 -1.147 314 HA THR 50 HA THR 50 10.797 -5.276 -1.063 315 HB THR 50 HB THR 50 12.224 -7.202 -1.645 316 HG1 THR 50 1HG THR 50 11.384 -9.020 -2.452 317 HG21 THR 50 1HG2 THR 50 10.943 -6.835 0.644 318 HG22 THR 50 2HG2 THR 50 11.931 -8.268 0.362 319 HG23 THR 50 3HG2 THR 50 10.179 -8.356 0.184 320 H THR 51 H THR 51 9.377 -7.011 -3.815 321 HA THR 51 HA THR 51 10.611 -5.038 -5.602 322 HB THR 51 HB THR 51 11.069 -6.855 -7.261 323 HG1 THR 51 1HG THR 51 9.858 -8.555 -6.537 324 HG21 THR 51 1HG2 THR 51 12.544 -6.167 -4.909 325 HG22 THR 51 2HG2 THR 51 13.150 -6.615 -6.504 326 HG23 THR 51 3HG2 THR 51 12.835 -7.862 -5.298 327 H LYS 52 H LYS 52 9.375 -4.435 -7.329 328 HA LYS 52 HA LYS 52 6.685 -4.425 -7.284 329 HB2 LYS 52 1HB LYS 52 8.378 -3.373 -8.981 330 HB3 LYS 52 2HB LYS 52 8.004 -4.792 -9.951 331 HG2 LYS 52 1HG LYS 52 5.546 -4.120 -9.604 332 HG3 LYS 52 2HG LYS 52 6.200 -2.555 -9.115 333 HD2 LYS 52 1HD LYS 52 7.563 -2.815 -11.361 334 HD3 LYS 52 2HD LYS 52 6.223 -3.884 -11.782 335 HE2 LYS 52 1HE LYS 52 5.571 -1.779 -12.575 336 HE3 LYS 52 2HE LYS 52 4.699 -1.969 -11.055 337 HZ1 LYS 52 1HZ LYS 52 7.222 -0.443 -11.410 338 HZ2 LYS 52 2HZ LYS 52 6.365 -0.611 -9.962 339 HZ3 LYS 52 3HZ LYS 52 5.679 0.233 -11.258 340 HA PRO 53 HA PRO 53 5.496 -8.679 -7.781 341 HB2 PRO 53 1HB PRO 53 2.819 -8.231 -7.836 342 HB3 PRO 53 2HB PRO 53 3.768 -8.198 -6.345 343 HG2 PRO 53 1HG PRO 53 2.821 -5.919 -8.040 344 HG3 PRO 53 2HG PRO 53 2.824 -6.074 -6.274 345 HD2 PRO 53 1HD PRO 53 4.705 -4.661 -7.616 346 HD3 PRO 53 2HD PRO 53 5.056 -5.523 -6.104 347 H ARG 54 H ARG 54 4.536 -10.013 -9.378 348 HA ARG 54 HA ARG 54 4.122 -8.669 -11.968 349 HB2 ARG 54 1HB ARG 54 6.170 -10.087 -11.816 350 HB3 ARG 54 2HB ARG 54 5.138 -11.477 -11.503 351 HG2 ARG 54 1HG ARG 54 4.042 -11.072 -13.703 352 HG3 ARG 54 2HG ARG 54 5.246 -9.819 -14.011 353 HD2 ARG 54 1HD ARG 54 6.130 -11.700 -15.062 354 HD3 ARG 54 2HD ARG 54 6.977 -11.652 -13.517 355 HE ARG 54 HE ARG 54 4.922 -13.268 -12.958 356 HH11 ARG 54 2HH1 ARG 54 7.155 -13.216 -15.628 357 HH12 ARG 54 1HH1 ARG 54 7.092 -14.928 -15.884 358 HH21 ARG 54 2HH2 ARG 54 4.830 -15.524 -13.285 359 HH22 ARG 54 1HH2 ARG 54 5.769 -16.240 -14.551 360 H GLY 55 H GLY 55 2.645 -9.749 -13.465 361 HA2 GLY 55 1HA GLY 55 0.701 -10.865 -14.011 362 HA3 GLY 55 2HA GLY 55 0.857 -11.773 -12.515 363 H LYS 56 H LYS 56 -0.232 -11.111 -10.695 364 HA LYS 56 HA LYS 56 -1.862 -8.679 -10.910 365 HB2 LYS 56 1HB LYS 56 -2.833 -11.456 -10.249 366 HB3 LYS 56 2HB LYS 56 -3.739 -10.013 -9.813 367 HG2 LYS 56 1HG LYS 56 -2.883 -10.443 -12.641 368 HG3 LYS 56 2HG LYS 56 -4.304 -11.272 -12.002 369 HD2 LYS 56 1HD LYS 56 -4.886 -8.823 -11.162 370 HD3 LYS 56 2HD LYS 56 -3.858 -8.380 -12.527 371 HE2 LYS 56 1HE LYS 56 -5.281 -9.374 -14.077 372 HE3 LYS 56 2HE LYS 56 -6.061 -10.382 -12.859 373 HZ1 LYS 56 1HZ LYS 56 -6.407 -7.620 -12.282 374 HZ2 LYS 56 2HZ LYS 56 -7.576 -8.823 -12.499 375 HZ3 LYS 56 3HZ LYS 56 -6.971 -7.980 -13.835 376 H TRP 57 H TRP 57 -2.059 -7.532 -9.057 377 HA TRP 57 HA TRP 57 -1.104 -8.763 -6.564 378 HB2 TRP 57 1HB TRP 57 0.710 -7.392 -7.514 379 HB3 TRP 57 2HB TRP 57 -0.367 -5.998 -7.550 380 HD1 TRP 57 HD TRP 57 1.735 -8.099 -5.168 381 HE1 TRP 57 1HE TRP 57 1.886 -6.889 -2.902 382 HE3 TRP 57 3HE TRP 57 -1.662 -4.373 -6.011 383 HZ2 TRP 57 2HZ TRP 57 0.718 -4.652 -1.638 384 HZ3 TRP 57 3HZ TRP 57 -2.087 -2.739 -4.221 385 HH2 TRP 57 HH TRP 57 -0.921 -2.877 -2.080 386 H PHE 58 H PHE 58 -2.702 -8.717 -5.140 387 HA PHE 58 HA PHE 58 -4.667 -6.537 -5.276 388 HB2 PHE 58 1HB PHE 58 -4.865 -9.224 -3.898 389 HB3 PHE 58 2HB PHE 58 -6.144 -8.017 -3.984 390 HD1 PHE 58 2HD PHE 58 -6.970 -7.352 -6.318 391 HD2 PHE 58 1HD PHE 58 -4.667 -10.846 -5.541 392 HE1 PHE 58 2HE PHE 58 -7.755 -8.335 -8.432 393 HE2 PHE 58 1HE PHE 58 -5.448 -11.835 -7.655 394 HZ PHE 58 HZ PHE 58 -6.994 -10.580 -9.103 395 H CYS 59 H CYS 59 -4.416 -4.941 -3.873 396 HA CYS 59 HA CYS 59 -2.593 -4.701 -1.873 397 HB2 CYS 59 1HB CYS 59 -3.791 -2.830 -1.091 398 HB3 CYS 59 2HB CYS 59 -4.218 -2.945 -2.795 399 HA PRO 60 HA PRO 60 -3.725 -7.249 1.517 400 HB2 PRO 60 1HB PRO 60 -2.901 -5.734 3.614 401 HB3 PRO 60 2HB PRO 60 -1.779 -6.563 2.528 402 HG2 PRO 60 1HG PRO 60 -2.640 -3.695 2.536 403 HG3 PRO 60 2HG PRO 60 -1.019 -4.376 2.307 404 HD2 PRO 60 1HD PRO 60 -2.551 -3.536 0.238 405 HD3 PRO 60 2HD PRO 60 -1.409 -4.887 0.093 406 H ARG 61 H ARG 61 -5.406 -4.540 0.743 407 HA ARG 61 HA ARG 61 -7.118 -4.625 3.128 408 HB2 ARG 61 1HB ARG 61 -6.566 -2.563 1.043 409 HB3 ARG 61 2HB ARG 61 -8.146 -2.564 1.816 410 HG2 ARG 61 1HG ARG 61 -6.887 -2.545 4.027 411 HG3 ARG 61 2HG ARG 61 -5.455 -2.150 3.073 412 HD2 ARG 61 1HD ARG 61 -6.189 -0.045 3.586 413 HD3 ARG 61 2HD ARG 61 -7.044 -0.309 2.067 414 HE ARG 61 HE ARG 61 -8.589 -1.159 4.301 415 HH11 ARG 61 2HH1 ARG 61 -7.575 1.657 2.523 416 HH12 ARG 61 1HH1 ARG 61 -8.959 2.598 2.969 417 HH21 ARG 61 2HH2 ARG 61 -10.416 0.069 4.895 418 HH22 ARG 61 1HH2 ARG 61 -10.575 1.694 4.319 419 H CYS 62 H CYS 62 -6.982 -5.444 -0.213 420 HA CYS 62 HA CYS 62 -9.880 -5.849 -0.349 421 HB2 CYS 62 1HB CYS 62 -7.709 -5.860 -2.443 422 HB3 CYS 62 2HB CYS 62 -9.347 -6.408 -2.781 423 H SER 63 H SER 63 -6.830 -7.613 -0.736 424 HA SER 63 HA SER 63 -8.191 -10.146 -1.025 425 HB2 SER 63 1HB SER 63 -5.869 -9.356 -2.015 426 HB3 SER 63 2HB SER 63 -5.256 -9.961 -0.476 427 HG SER 63 HG SER 63 -6.564 -11.920 -1.065 428 H GLN 64 H GLN 64 -8.277 -8.401 1.493 429 HA GLN 64 HA GLN 64 -7.911 -8.615 3.779 430 HB2 GLN 64 1HB GLN 64 -9.572 -10.843 2.729 431 HB3 GLN 64 2HB GLN 64 -9.068 -10.945 4.410 432 HG2 GLN 64 1HG GLN 64 -11.316 -9.870 3.923 433 HG3 GLN 64 2HG GLN 64 -10.219 -9.005 4.999 434 HE21 GLN 64 1HE2 GLN 64 -11.009 -9.249 1.549 435 HE22 GLN 64 2HE2 GLN 64 -10.886 -7.557 1.225 436 H GLU 65 H GLU 65 -5.492 -9.105 2.807 437 HA GLU 65 HA GLU 65 -4.586 -11.717 3.732 438 HB2 GLU 65 1HB GLU 65 -3.810 -10.451 1.577 439 HB3 GLU 65 2HB GLU 65 -2.758 -9.585 2.689 440 HG2 GLU 65 1HG GLU 65 -1.448 -11.326 1.866 441 HG3 GLU 65 2HG GLU 65 -1.958 -11.870 3.463 442 H SER 66 H SER 66 -5.579 -9.626 5.581 443 HA SER 66 HA SER 66 -3.264 -9.622 7.373 444 HB2 SER 66 1HB SER 66 -4.941 -7.181 6.743 445 HB3 SER 66 2HB SER 66 -3.765 -7.278 8.054 446 HG SER 66 HG SER 66 -3.147 -7.709 5.319 447 H GLY 67 H GLY 67 -3.955 -10.837 9.012 448 HA2 GLY 67 1HA GLY 67 -6.342 -10.010 10.455 449 HA3 GLY 67 2HA GLY 67 -6.384 -11.635 9.786 450 HA PRO 68 HA PRO 68 -3.146 -11.255 13.422 451 HB2 PRO 68 1HB PRO 68 -4.116 -9.709 15.432 452 HB3 PRO 68 2HB PRO 68 -3.077 -9.076 14.149 453 HG2 PRO 68 1HG PRO 68 -6.055 -8.934 14.417 454 HG3 PRO 68 2HG PRO 68 -4.916 -7.673 13.910 455 HD2 PRO 68 1HD PRO 68 -6.390 -9.101 12.144 456 HD3 PRO 68 2HD PRO 68 -4.765 -8.498 11.763 457 H SER 69 H SER 69 -3.642 -11.644 15.986 458 HA SER 69 HA SER 69 -6.001 -13.405 16.106 459 HB2 SER 69 1HB SER 69 -4.766 -15.092 17.216 460 HB3 SER 69 2HB SER 69 -3.731 -14.578 15.884 461 HG SER 69 HG SER 69 -2.309 -14.275 17.399 462 H SER 70 H SER 70 -7.230 -13.300 17.911 463 HA SER 70 HA SER 70 -6.725 -11.115 19.731 464 HB2 SER 70 1HB SER 70 -9.011 -13.070 19.446 465 HB3 SER 70 2HB SER 70 -8.950 -11.842 20.711 466 HG SER 70 HG SER 70 -9.828 -10.623 19.241 467 H GLY 71 H GLY 71 -4.966 -11.717 20.979 468 HA2 GLY 71 1HA GLY 71 -5.290 -14.143 22.622 469 HA3 GLY 71 2HA GLY 71 -3.759 -13.349 22.285 Start of MODEL 18 1 H1 GLY 1 H GLY 1 21.957 4.292 11.373 2 HA2 GLY 1 1HA GLY 1 20.938 6.857 10.776 3 HA3 GLY 1 2HA GLY 1 20.037 5.351 10.694 4 H SER 2 H SER 2 20.567 8.242 12.426 5 HA SER 2 HA SER 2 19.307 7.378 14.869 6 HB2 SER 2 1HB SER 2 19.881 10.200 13.938 7 HB3 SER 2 2HB SER 2 19.536 9.681 15.588 8 HG SER 2 HG SER 2 21.643 9.567 15.684 9 H SER 3 H SER 3 17.232 7.702 15.519 10 HA SER 3 HA SER 3 15.387 8.840 13.520 11 HB2 SER 3 1HB SER 3 15.172 6.372 13.823 12 HB3 SER 3 2HB SER 3 14.773 6.649 15.518 13 HG SER 3 HG SER 3 12.807 6.826 14.804 14 H GLY 4 H GLY 4 13.561 9.991 14.296 15 HA2 GLY 4 1HA GLY 4 13.319 10.567 17.117 16 HA3 GLY 4 2HA GLY 4 13.946 11.907 16.168 17 H SER 5 H SER 5 11.283 11.068 17.612 18 HA SER 5 HA SER 5 9.408 11.508 15.424 19 HB2 SER 5 1HB SER 5 7.670 10.983 17.023 20 HB3 SER 5 2HB SER 5 8.951 9.781 17.175 21 HG SER 5 HG SER 5 8.880 12.087 18.804 22 H SER 6 H SER 6 8.958 13.516 14.837 23 HA SER 6 HA SER 6 9.436 15.741 16.616 24 HB2 SER 6 1HB SER 6 8.745 17.121 14.663 25 HB3 SER 6 2HB SER 6 10.035 15.984 14.273 26 HG SER 6 HG SER 6 8.560 14.680 13.246 27 H GLY 7 H GLY 7 6.641 14.205 15.070 28 HA2 GLY 7 1HA GLY 7 4.880 14.752 17.179 29 HA3 GLY 7 2HA GLY 7 4.692 16.023 15.980 30 H ASP 8 H ASP 8 2.614 15.457 15.395 31 HA ASP 8 HA ASP 8 2.178 12.761 14.340 32 HB2 ASP 8 1HB ASP 8 0.107 14.935 14.629 33 HB3 ASP 8 2HB ASP 8 -0.155 13.200 14.479 34 H MET 9 H MET 9 2.141 12.349 12.229 35 HA MET 9 HA MET 9 3.006 14.006 10.258 36 HB2 MET 9 1HB MET 9 1.797 12.521 8.648 37 HB3 MET 9 2HB MET 9 2.764 11.659 9.837 38 HG2 MET 9 1HG MET 9 0.799 11.113 11.111 39 HG3 MET 9 2HG MET 9 -0.205 12.092 10.044 40 HE1 MET 9 1HE MET 9 0.657 9.013 11.171 41 HE2 MET 9 2HE MET 9 0.187 7.839 9.942 42 HE3 MET 9 3HE MET 9 1.853 8.415 10.020 43 HA PRO 10 HA PRO 10 -0.228 17.038 9.912 44 HB2 PRO 10 1HB PRO 10 0.849 18.376 7.809 45 HB3 PRO 10 2HB PRO 10 1.449 18.543 9.463 46 HG2 PRO 10 1HG PRO 10 2.521 16.878 7.218 47 HG3 PRO 10 2HG PRO 10 3.401 17.878 8.388 48 HD2 PRO 10 1HD PRO 10 3.198 15.189 8.632 49 HD3 PRO 10 2HD PRO 10 3.289 16.271 10.037 50 H VAL 11 H VAL 11 -1.962 17.480 8.546 51 HA VAL 11 HA VAL 11 -2.127 15.886 6.076 52 HB VAL 11 HB VAL 11 -4.487 15.405 6.545 53 HG11 VAL 11 1HG1 VAL 11 -3.668 14.211 8.953 54 HG12 VAL 11 2HG1 VAL 11 -3.668 13.499 7.338 55 HG13 VAL 11 3HG1 VAL 11 -2.229 14.324 7.940 56 HG21 VAL 11 1HG2 VAL 11 -5.452 16.887 7.944 57 HG22 VAL 11 2HG2 VAL 11 -4.933 15.749 9.187 58 HG23 VAL 11 3HG2 VAL 11 -3.959 17.177 8.837 59 H ASP 12 H ASP 12 -4.158 16.611 4.787 60 HA ASP 12 HA ASP 12 -5.094 19.268 5.072 61 HB2 ASP 12 1HB ASP 12 -2.672 18.816 3.404 62 HB3 ASP 12 2HB ASP 12 -3.905 19.897 2.762 63 HA PRO 13 HA PRO 13 -8.115 17.733 2.284 64 HB2 PRO 13 1HB PRO 13 -9.030 20.040 1.183 65 HB3 PRO 13 2HB PRO 13 -9.387 19.562 2.847 66 HG2 PRO 13 1HG PRO 13 -7.323 21.475 1.826 67 HG3 PRO 13 2HG PRO 13 -8.405 21.636 3.222 68 HD2 PRO 13 1HD PRO 13 -5.809 20.908 3.468 69 HD3 PRO 13 2HD PRO 13 -7.074 20.319 4.565 70 H ASN 14 H ASN 14 -5.466 19.631 1.110 71 HA ASN 14 HA ASN 14 -6.082 19.157 -1.682 72 HB2 ASN 14 1HB ASN 14 -3.933 20.628 -0.200 73 HB3 ASN 14 2HB ASN 14 -3.675 20.190 -1.886 74 HD21 ASN 14 1HD2 ASN 14 -3.862 22.821 -0.793 75 HD22 ASN 14 2HD2 ASN 14 -5.217 23.589 -1.541 76 H GLU 15 H GLU 15 -3.368 18.336 0.487 77 HA GLU 15 HA GLU 15 -1.932 16.670 -1.127 78 HB2 GLU 15 1HB GLU 15 -2.430 16.716 1.814 79 HB3 GLU 15 2HB GLU 15 -1.579 15.335 1.136 80 HG2 GLU 15 1HG GLU 15 0.127 16.781 0.228 81 HG3 GLU 15 2HG GLU 15 -0.748 18.206 0.787 82 HA PRO 16 HA PRO 16 -5.136 13.608 -1.978 83 HB2 PRO 16 1HB PRO 16 -3.811 12.486 -4.065 84 HB3 PRO 16 2HB PRO 16 -4.744 13.980 -4.211 85 HG2 PRO 16 1HG PRO 16 -1.790 13.617 -3.889 86 HG3 PRO 16 2HG PRO 16 -2.672 14.723 -4.959 87 HD2 PRO 16 1HD PRO 16 -1.571 15.527 -2.619 88 HD3 PRO 16 2HD PRO 16 -3.056 16.248 -3.274 89 H THR 17 H THR 17 -5.204 11.960 -0.585 90 HA THR 17 HA THR 17 -2.794 10.311 -0.216 91 HB THR 17 HB THR 17 -4.047 9.468 1.844 92 HG1 THR 17 1HG THR 17 -6.099 10.398 1.147 93 HG21 THR 17 1HG2 THR 17 -2.248 10.840 2.343 94 HG22 THR 17 2HG2 THR 17 -3.589 11.728 3.067 95 HG23 THR 17 3HG2 THR 17 -2.942 12.227 1.504 96 H TYR 18 H TYR 18 -2.854 8.121 -0.511 97 HA TYR 18 HA TYR 18 -5.382 6.990 -1.516 98 HB2 TYR 18 1HB TYR 18 -2.595 6.342 -2.497 99 HB3 TYR 18 2HB TYR 18 -4.092 5.631 -3.089 100 HD1 TYR 18 2HD TYR 18 -5.651 6.970 -4.444 101 HD2 TYR 18 1HD TYR 18 -1.898 8.534 -3.191 102 HE1 TYR 18 2HE TYR 18 -5.845 8.762 -6.118 103 HE2 TYR 18 1HE TYR 18 -2.082 10.331 -4.860 104 HH TYR 18 HH TYR 18 -4.553 10.331 -7.294 105 H CYS 19 H CYS 19 -2.150 5.896 -0.465 106 HA CYS 19 HA CYS 19 -2.858 3.371 0.399 107 HB2 CYS 19 1HB CYS 19 -0.548 3.900 0.259 108 HB3 CYS 19 2HB CYS 19 -0.717 5.263 1.361 109 H LEU 20 H LEU 20 -3.125 2.509 2.564 110 HA LEU 20 HA LEU 20 -5.231 3.643 3.969 111 HB2 LEU 20 1HB LEU 20 -3.165 1.801 5.152 112 HB3 LEU 20 2HB LEU 20 -4.842 1.996 5.658 113 HG LEU 20 HG LEU 20 -5.257 1.178 3.147 114 HD11 LEU 20 1HD1 LEU 20 -3.129 -0.733 3.640 115 HD12 LEU 20 2HD1 LEU 20 -2.518 0.894 3.341 116 HD13 LEU 20 3HD1 LEU 20 -3.569 0.117 2.158 117 HD21 LEU 20 1HD2 LEU 20 -6.229 -0.508 4.224 118 HD22 LEU 20 2HD2 LEU 20 -5.509 0.122 5.706 119 HD23 LEU 20 3HD2 LEU 20 -4.678 -1.133 4.784 120 H CYS 21 H CYS 21 -1.754 3.777 4.660 121 HA CYS 21 HA CYS 21 -1.817 5.100 7.090 122 HB2 CYS 21 1HB CYS 21 0.448 5.771 6.654 123 HB3 CYS 21 2HB CYS 21 0.218 4.169 5.959 124 H HIS 22 H HIS 22 -2.866 6.218 4.077 125 HA HIS 22 HA HIS 22 -3.700 8.208 3.355 126 HB2 HIS 22 1HB HIS 22 -3.691 8.617 6.328 127 HB3 HIS 22 2HB HIS 22 -4.126 9.945 5.256 128 HD1 HIS 22 1HD HIS 22 -5.954 8.782 3.264 129 HD2 HIS 22 2HD HIS 22 -5.986 7.530 7.225 130 HE1 HIS 22 1HE HIS 22 -8.226 7.768 3.630 131 HE2 HIS 22 2HE HIS 22 -8.252 7.095 6.057 132 H GLN 23 H GLN 23 -1.167 7.996 2.736 133 HA GLN 23 HA GLN 23 0.073 10.554 3.510 134 HB2 GLN 23 1HB GLN 23 1.293 7.894 2.821 135 HB3 GLN 23 2HB GLN 23 2.221 9.382 2.694 136 HG2 GLN 23 1HG GLN 23 0.792 8.852 5.237 137 HG3 GLN 23 2HG GLN 23 2.231 7.900 4.878 138 HE21 GLN 23 1HE2 GLN 23 1.062 11.239 4.980 139 HE22 GLN 23 2HE2 GLN 23 2.551 11.929 5.521 140 H VAL 24 H VAL 24 1.467 11.528 1.813 141 HA VAL 24 HA VAL 24 0.014 11.648 -0.670 142 HB VAL 24 HB VAL 24 1.527 13.432 -1.291 143 HG11 VAL 24 1HG1 VAL 24 0.099 14.605 -0.038 144 HG12 VAL 24 2HG1 VAL 24 0.092 13.389 1.241 145 HG13 VAL 24 3HG1 VAL 24 1.363 14.611 1.192 146 HG21 VAL 24 1HG2 VAL 24 3.270 14.067 0.548 147 HG22 VAL 24 2HG2 VAL 24 3.157 12.358 0.970 148 HG23 VAL 24 3HG2 VAL 24 3.660 12.835 -0.652 149 H SER 25 H SER 25 1.135 11.548 -2.779 150 HA SER 25 HA SER 25 2.243 9.068 -3.276 151 HB2 SER 25 1HB SER 25 1.269 10.451 -5.042 152 HB3 SER 25 2HB SER 25 2.587 11.611 -4.885 153 HG SER 25 HG SER 25 3.344 10.382 -6.457 154 H TYR 26 H TYR 26 4.101 8.229 -2.628 155 HA TYR 26 HA TYR 26 6.586 9.606 -3.041 156 HB2 TYR 26 1HB TYR 26 7.290 9.930 -0.851 157 HB3 TYR 26 2HB TYR 26 5.592 10.385 -0.760 158 HD1 TYR 26 1HD TYR 26 7.841 7.452 -0.252 159 HD2 TYR 26 2HD TYR 26 4.239 9.423 0.863 160 HE1 TYR 26 1HE TYR 26 7.502 5.804 1.541 161 HE2 TYR 26 2HE TYR 26 3.891 7.781 2.661 162 HH TYR 26 HH TYR 26 4.545 5.588 3.303 163 H GLY 27 H GLY 27 8.442 8.238 -2.678 164 HA2 GLY 27 1HA GLY 27 9.549 6.237 -2.870 165 HA3 GLY 27 2HA GLY 27 8.361 5.615 -1.734 166 H GLU 28 H GLU 28 8.621 3.607 -2.949 167 HA GLU 28 HA GLU 28 7.654 3.511 -5.661 168 HB2 GLU 28 1HB GLU 28 8.435 1.366 -3.686 169 HB3 GLU 28 2HB GLU 28 7.854 1.012 -5.307 170 HG2 GLU 28 1HG GLU 28 10.252 0.928 -5.273 171 HG3 GLU 28 2HG GLU 28 9.726 2.305 -6.238 172 H MET 29 H MET 29 5.681 2.875 -6.380 173 HA MET 29 HA MET 29 3.704 1.964 -4.415 174 HB2 MET 29 1HB MET 29 3.314 4.244 -6.360 175 HB3 MET 29 2HB MET 29 2.018 3.493 -5.439 176 HG2 MET 29 1HG MET 29 3.289 4.119 -3.359 177 HG3 MET 29 2HG MET 29 4.343 5.079 -4.395 178 HE1 MET 29 1HE MET 29 0.680 4.225 -3.849 179 HE2 MET 29 2HE MET 29 0.877 5.204 -2.396 180 HE3 MET 29 3HE MET 29 -0.140 5.780 -3.717 181 H ILE 30 H ILE 30 1.679 1.171 -5.523 182 HA ILE 30 HA ILE 30 2.190 0.146 -8.221 183 HB ILE 30 HB ILE 30 1.716 -2.083 -7.710 184 HG12 ILE 30 1HG1 ILE 30 -0.247 -1.624 -6.272 185 HG13 ILE 30 2HG1 ILE 30 0.800 -2.866 -5.594 186 HG21 ILE 30 1HG2 ILE 30 3.372 -0.928 -5.476 187 HG22 ILE 30 2HG2 ILE 30 3.240 -2.655 -5.806 188 HG23 ILE 30 3HG2 ILE 30 3.938 -1.578 -7.015 189 HD11 ILE 30 1HD1 ILE 30 0.450 -0.028 -4.703 190 HD12 ILE 30 2HD1 ILE 30 0.197 -1.515 -3.788 191 HD13 ILE 30 3HD1 ILE 30 1.832 -1.003 -4.206 192 H GLY 31 H GLY 31 0.170 -0.918 -9.131 193 HA2 GLY 31 1HA GLY 31 -2.189 0.625 -8.244 194 HA3 GLY 31 2HA GLY 31 -1.854 0.232 -9.924 195 H CYS 32 H CYS 32 -3.124 -0.901 -6.908 196 HA CYS 32 HA CYS 32 -3.364 -3.552 -7.027 197 HB2 CYS 32 1HB CYS 32 -4.554 -1.973 -5.438 198 HB3 CYS 32 2HB CYS 32 -5.823 -1.841 -6.652 199 H ASP 33 H ASP 33 -4.427 -5.134 -8.149 200 HA ASP 33 HA ASP 33 -5.177 -4.515 -10.847 201 HB2 ASP 33 1HB ASP 33 -4.013 -6.655 -9.890 202 HB3 ASP 33 2HB ASP 33 -5.663 -7.189 -9.582 203 H ASN 34 H ASN 34 -6.874 -5.527 -7.918 204 HA ASN 34 HA ASN 34 -9.374 -6.095 -8.888 205 HB2 ASN 34 1HB ASN 34 -8.443 -6.029 -6.441 206 HB3 ASN 34 2HB ASN 34 -9.121 -4.403 -6.426 207 HD21 ASN 34 1HD2 ASN 34 -10.501 -5.204 -4.741 208 HD22 ASN 34 2HD2 ASN 34 -11.930 -6.086 -5.147 209 HA PRO 35 HA PRO 35 -10.491 -2.257 -10.862 210 HB2 PRO 35 1HB PRO 35 -12.943 -3.081 -11.686 211 HB3 PRO 35 2HB PRO 35 -11.447 -3.555 -12.499 212 HG2 PRO 35 1HG PRO 35 -13.089 -5.080 -10.514 213 HG3 PRO 35 2HG PRO 35 -12.323 -5.652 -12.008 214 HD2 PRO 35 1HD PRO 35 -11.240 -6.071 -9.562 215 HD3 PRO 35 2HD PRO 35 -10.251 -5.847 -11.019 216 H ASP 36 H ASP 36 -12.003 -3.803 -8.198 217 HA ASP 36 HA ASP 36 -14.012 -1.752 -7.812 218 HB2 ASP 36 1HB ASP 36 -14.247 -4.239 -7.197 219 HB3 ASP 36 2HB ASP 36 -13.240 -3.858 -5.803 220 H CYS 37 H CYS 37 -10.863 -2.624 -6.539 221 HA CYS 37 HA CYS 37 -10.698 -1.177 -4.227 222 HB2 CYS 37 1HB CYS 37 -8.907 -2.591 -5.506 223 HB3 CYS 37 2HB CYS 37 -8.431 -1.038 -6.186 224 H SER 38 H SER 38 -11.437 0.816 -3.891 225 HA SER 38 HA SER 38 -11.658 2.814 -5.866 226 HB2 SER 38 1HB SER 38 -12.872 2.566 -3.567 227 HB3 SER 38 2HB SER 38 -11.498 3.476 -2.941 228 HG SER 38 HG SER 38 -12.826 5.058 -3.517 229 H ILE 39 H ILE 39 -9.270 2.274 -3.305 230 HA ILE 39 HA ILE 39 -7.754 4.615 -3.863 231 HB ILE 39 HB ILE 39 -6.889 2.084 -2.458 232 HG12 ILE 39 1HG1 ILE 39 -7.757 4.677 -1.187 233 HG13 ILE 39 2HG1 ILE 39 -8.896 3.381 -1.533 234 HG21 ILE 39 1HG2 ILE 39 -5.022 3.231 -1.661 235 HG22 ILE 39 2HG2 ILE 39 -5.117 3.710 -3.355 236 HG23 ILE 39 3HG2 ILE 39 -5.686 4.805 -2.096 237 HD11 ILE 39 1HD1 ILE 39 -7.425 1.880 -0.152 238 HD12 ILE 39 2HD1 ILE 39 -6.561 3.335 0.349 239 HD13 ILE 39 3HD1 ILE 39 -8.274 3.152 0.725 240 H GLU 40 H GLU 40 -6.947 1.178 -4.406 241 HA GLU 40 HA GLU 40 -5.559 0.168 -5.904 242 HB2 GLU 40 1HB GLU 40 -7.416 1.068 -7.380 243 HB3 GLU 40 2HB GLU 40 -6.341 2.401 -7.775 244 HG2 GLU 40 1HG GLU 40 -4.709 0.819 -8.674 245 HG3 GLU 40 2HG GLU 40 -5.795 -0.514 -8.287 246 H TRP 41 H TRP 41 -4.248 1.876 -4.146 247 HA TRP 41 HA TRP 41 -1.789 2.270 -5.513 248 HB2 TRP 41 1HB TRP 41 -3.487 4.670 -4.902 249 HB3 TRP 41 2HB TRP 41 -1.730 4.794 -4.866 250 HD1 TRP 41 HD TRP 41 -4.625 4.876 -7.210 251 HE1 TRP 41 1HE TRP 41 -3.791 5.030 -9.640 252 HE3 TRP 41 3HE TRP 41 0.326 3.861 -6.435 253 HZ2 TRP 41 2HZ TRP 41 -1.357 4.757 -11.043 254 HZ3 TRP 41 3HZ TRP 41 1.840 3.827 -8.375 255 HH2 TRP 41 HH TRP 41 1.014 4.265 -10.630 256 H PHE 42 H PHE 42 -0.328 1.690 -4.060 257 HA PHE 42 HA PHE 42 -0.545 2.684 -1.320 258 HB2 PHE 42 1HB PHE 42 0.006 -0.229 -1.895 259 HB3 PHE 42 2HB PHE 42 -0.232 0.527 -0.323 260 HD1 PHE 42 1HD PHE 42 -1.972 -0.166 -3.532 261 HD2 PHE 42 2HD PHE 42 -2.336 0.557 0.647 262 HE1 PHE 42 1HE PHE 42 -4.375 -0.682 -3.655 263 HE2 PHE 42 2HE PHE 42 -4.739 0.042 0.530 264 HZ PHE 42 HZ PHE 42 -5.761 -0.579 -1.622 265 H HIS 43 H HIS 43 1.509 1.995 -0.059 266 HA HIS 43 HA HIS 43 3.797 2.571 -1.801 267 HB2 HIS 43 1HB HIS 43 3.620 2.769 1.211 268 HB3 HIS 43 2HB HIS 43 4.939 3.347 0.197 269 HD2 HIS 43 2HD HIS 43 3.999 5.497 -1.639 270 HE1 HIS 43 1HE HIS 43 1.097 6.758 1.186 271 HE2 HIS 43 2HE HIS 43 2.302 7.324 -0.952 272 H PHE 44 H PHE 44 5.544 1.248 -1.939 273 HA PHE 44 HA PHE 44 5.312 -1.466 -1.552 274 HB2 PHE 44 1HB PHE 44 7.675 0.350 -1.863 275 HB3 PHE 44 2HB PHE 44 7.931 -1.360 -1.532 276 HD1 PHE 44 2HD PHE 44 5.400 0.357 -3.655 277 HD2 PHE 44 1HD PHE 44 8.712 -2.310 -3.481 278 HE1 PHE 44 2HE PHE 44 5.118 -0.143 -6.047 279 HE2 PHE 44 1HE PHE 44 8.436 -2.814 -5.873 280 HZ PHE 44 HZ PHE 44 6.637 -1.731 -7.159 281 H ALA 45 H ALA 45 7.438 0.611 0.422 282 HA ALA 45 HA ALA 45 8.109 -1.131 2.399 283 HB1 ALA 45 1HB ALA 45 9.054 0.669 3.293 284 HB2 ALA 45 2HB ALA 45 8.277 1.628 2.034 285 HB3 ALA 45 3HB ALA 45 7.485 1.415 3.595 286 H CYS 46 H CYS 46 5.191 0.909 2.358 287 HA CYS 46 HA CYS 46 4.112 0.144 4.796 288 HB2 CYS 46 1HB CYS 46 2.976 1.185 2.242 289 HB3 CYS 46 2HB CYS 46 1.858 0.553 3.446 290 H VAL 47 H VAL 47 3.564 -1.304 1.592 291 HA VAL 47 HA VAL 47 2.162 -3.545 2.831 292 HB VAL 47 HB VAL 47 1.754 -4.284 0.487 293 HG11 VAL 47 1HG1 VAL 47 0.169 -2.477 -0.063 294 HG12 VAL 47 2HG1 VAL 47 0.096 -2.946 1.636 295 HG13 VAL 47 3HG1 VAL 47 0.928 -1.464 1.164 296 HG21 VAL 47 1HG2 VAL 47 2.799 -3.388 -1.265 297 HG22 VAL 47 2HG2 VAL 47 2.425 -1.746 -0.738 298 HG23 VAL 47 3HG2 VAL 47 3.852 -2.570 -0.110 299 H GLY 48 H GLY 48 5.008 -3.208 3.291 300 HA2 GLY 48 1HA GLY 48 7.046 -4.299 2.966 301 HA3 GLY 48 2HA GLY 48 6.018 -5.666 3.371 302 H LEU 49 H LEU 49 6.979 -3.672 0.583 303 HA LEU 49 HA LEU 49 6.865 -6.112 -1.066 304 HB2 LEU 49 1HB LEU 49 6.133 -3.283 -1.622 305 HB3 LEU 49 2HB LEU 49 6.782 -4.253 -2.943 306 HG LEU 49 HG LEU 49 4.310 -4.899 -1.336 307 HD11 LEU 49 1HD1 LEU 49 4.086 -2.945 -2.842 308 HD12 LEU 49 2HD1 LEU 49 3.071 -4.309 -3.308 309 HD13 LEU 49 3HD1 LEU 49 4.559 -3.975 -4.193 310 HD21 LEU 49 1HD2 LEU 49 5.963 -6.450 -3.168 311 HD22 LEU 49 2HD2 LEU 49 4.268 -6.376 -3.651 312 HD23 LEU 49 3HD2 LEU 49 4.704 -6.978 -2.050 313 H THR 50 H THR 50 8.994 -6.730 -0.682 314 HA THR 50 HA THR 50 11.250 -5.100 -0.770 315 HB THR 50 HB THR 50 11.300 -7.418 0.056 316 HG1 THR 50 1HG THR 50 13.100 -7.166 -2.130 317 HG21 THR 50 1HG2 THR 50 11.546 -8.501 -2.698 318 HG22 THR 50 2HG2 THR 50 9.923 -8.139 -2.109 319 HG23 THR 50 3HG2 THR 50 10.949 -9.270 -1.228 320 H THR 51 H THR 51 9.451 -6.642 -3.363 321 HA THR 51 HA THR 51 10.808 -4.948 -5.296 322 HB THR 51 HB THR 51 10.636 -7.886 -5.916 323 HG1 THR 51 1HG THR 51 12.909 -7.926 -5.346 324 HG21 THR 51 1HG2 THR 51 12.787 -6.801 -7.230 325 HG22 THR 51 2HG2 THR 51 11.634 -5.466 -7.221 326 HG23 THR 51 3HG2 THR 51 11.177 -7.021 -7.916 327 H LYS 52 H LYS 52 9.600 -4.529 -7.130 328 HA LYS 52 HA LYS 52 6.853 -4.543 -6.963 329 HB2 LYS 52 1HB LYS 52 8.484 -3.340 -8.620 330 HB3 LYS 52 2HB LYS 52 8.174 -4.734 -9.647 331 HG2 LYS 52 1HG LYS 52 5.876 -4.233 -9.804 332 HG3 LYS 52 2HG LYS 52 5.967 -3.058 -8.490 333 HD2 LYS 52 1HD LYS 52 6.018 -1.606 -10.237 334 HD3 LYS 52 2HD LYS 52 7.746 -1.959 -10.148 335 HE2 LYS 52 1HE LYS 52 5.921 -3.610 -11.858 336 HE3 LYS 52 2HE LYS 52 6.559 -2.073 -12.441 337 HZ1 LYS 52 1HZ LYS 52 8.001 -4.559 -11.814 338 HZ2 LYS 52 2HZ LYS 52 8.812 -3.078 -11.716 339 HZ3 LYS 52 3HZ LYS 52 8.121 -3.568 -13.180 340 HA PRO 53 HA PRO 53 5.946 -8.859 -7.612 341 HB2 PRO 53 1HB PRO 53 3.249 -8.597 -7.448 342 HB3 PRO 53 2HB PRO 53 4.302 -8.594 -6.029 343 HG2 PRO 53 1HG PRO 53 3.086 -6.281 -7.489 344 HG3 PRO 53 2HG PRO 53 3.231 -6.550 -5.743 345 HD2 PRO 53 1HD PRO 53 4.911 -4.925 -7.111 346 HD3 PRO 53 2HD PRO 53 5.429 -5.857 -5.691 347 H ARG 54 H ARG 54 5.934 -9.832 -9.531 348 HA ARG 54 HA ARG 54 5.064 -8.464 -11.900 349 HB2 ARG 54 1HB ARG 54 6.407 -11.043 -11.277 350 HB3 ARG 54 2HB ARG 54 5.549 -10.933 -12.808 351 HG2 ARG 54 1HG ARG 54 6.948 -9.263 -13.616 352 HG3 ARG 54 2HG ARG 54 7.525 -8.836 -12.004 353 HD2 ARG 54 1HD ARG 54 8.116 -11.405 -13.470 354 HD3 ARG 54 2HD ARG 54 9.224 -10.046 -13.287 355 HE ARG 54 HE ARG 54 9.547 -10.627 -11.056 356 HH11 ARG 54 2HH1 ARG 54 7.168 -12.671 -12.568 357 HH12 ARG 54 1HH1 ARG 54 7.190 -13.853 -11.302 358 HH21 ARG 54 2HH2 ARG 54 9.584 -12.177 -9.383 359 HH22 ARG 54 1HH2 ARG 54 8.564 -13.571 -9.490 360 H GLY 55 H GLY 55 3.386 -9.059 -13.302 361 HA2 GLY 55 1HA GLY 55 1.408 -10.089 -13.949 362 HA3 GLY 55 2HA GLY 55 1.551 -11.167 -12.568 363 H LYS 56 H LYS 56 -0.174 -10.994 -11.314 364 HA LYS 56 HA LYS 56 -1.483 -8.383 -11.039 365 HB2 LYS 56 1HB LYS 56 -3.408 -9.621 -10.195 366 HB3 LYS 56 2HB LYS 56 -2.898 -10.262 -11.751 367 HG2 LYS 56 1HG LYS 56 -1.712 -12.080 -10.566 368 HG3 LYS 56 2HG LYS 56 -2.358 -11.463 -9.044 369 HD2 LYS 56 1HD LYS 56 -4.613 -11.884 -9.770 370 HD3 LYS 56 2HD LYS 56 -4.052 -12.334 -11.383 371 HE2 LYS 56 1HE LYS 56 -4.587 -14.308 -10.053 372 HE3 LYS 56 2HE LYS 56 -2.869 -14.251 -10.443 373 HZ1 LYS 56 1HZ LYS 56 -4.142 -14.248 -7.892 374 HZ2 LYS 56 2HZ LYS 56 -3.087 -12.937 -8.052 375 HZ3 LYS 56 3HZ LYS 56 -2.517 -14.513 -8.280 376 H TRP 57 H TRP 57 -2.054 -7.565 -8.984 377 HA TRP 57 HA TRP 57 -0.909 -8.850 -6.635 378 HB2 TRP 57 1HB TRP 57 0.939 -7.485 -7.386 379 HB3 TRP 57 2HB TRP 57 -0.114 -6.085 -7.564 380 HD1 TRP 57 HD TRP 57 1.772 -8.100 -4.939 381 HE1 TRP 57 1HE TRP 57 1.762 -6.794 -2.721 382 HE3 TRP 57 3HE TRP 57 -1.504 -4.382 -6.200 383 HZ2 TRP 57 2HZ TRP 57 0.528 -4.494 -1.647 384 HZ3 TRP 57 3HZ TRP 57 -2.046 -2.669 -4.520 385 HH2 TRP 57 HH TRP 57 -1.050 -2.725 -2.291 386 H PHE 58 H PHE 58 -2.489 -8.877 -5.191 387 HA PHE 58 HA PHE 58 -4.468 -6.709 -5.205 388 HB2 PHE 58 1HB PHE 58 -4.649 -9.411 -3.859 389 HB3 PHE 58 2HB PHE 58 -5.946 -8.232 -4.029 390 HD1 PHE 58 2HD PHE 58 -6.965 -7.820 -6.226 391 HD2 PHE 58 1HD PHE 58 -4.050 -10.866 -5.644 392 HE1 PHE 58 2HE PHE 58 -7.629 -8.858 -8.356 393 HE2 PHE 58 1HE PHE 58 -4.709 -11.909 -7.773 394 HZ PHE 58 HZ PHE 58 -6.501 -10.905 -9.131 395 H CYS 59 H CYS 59 -3.879 -5.119 -3.868 396 HA CYS 59 HA CYS 59 -2.138 -5.039 -1.823 397 HB2 CYS 59 1HB CYS 59 -3.326 -3.148 -0.922 398 HB3 CYS 59 2HB CYS 59 -3.479 -3.109 -2.675 399 HA PRO 60 HA PRO 60 -3.477 -7.537 1.528 400 HB2 PRO 60 1HB PRO 60 -2.580 -6.103 3.651 401 HB3 PRO 60 2HB PRO 60 -1.502 -6.993 2.569 402 HG2 PRO 60 1HG PRO 60 -2.170 -4.075 2.599 403 HG3 PRO 60 2HG PRO 60 -0.595 -4.860 2.380 404 HD2 PRO 60 1HD PRO 60 -2.043 -3.897 0.305 405 HD3 PRO 60 2HD PRO 60 -0.992 -5.320 0.157 406 H ARG 61 H ARG 61 -4.993 -4.754 0.738 407 HA ARG 61 HA ARG 61 -6.714 -4.715 3.118 408 HB2 ARG 61 1HB ARG 61 -6.292 -2.507 2.831 409 HB3 ARG 61 2HB ARG 61 -5.895 -2.699 1.129 410 HG2 ARG 61 1HG ARG 61 -8.027 -2.331 0.444 411 HG3 ARG 61 2HG ARG 61 -8.734 -3.018 1.908 412 HD2 ARG 61 1HD ARG 61 -8.259 -1.048 3.156 413 HD3 ARG 61 2HD ARG 61 -7.260 -0.394 1.859 414 HE ARG 61 HE ARG 61 -10.062 -0.128 2.122 415 HH11 ARG 61 2HH1 ARG 61 -7.573 -0.626 -0.260 416 HH12 ARG 61 1HH1 ARG 61 -8.473 0.108 -1.545 417 HH21 ARG 61 2HH2 ARG 61 -11.258 0.841 0.439 418 HH22 ARG 61 1HH2 ARG 61 -10.569 0.943 -1.146 419 H CYS 62 H CYS 62 -6.677 -5.315 -0.321 420 HA CYS 62 HA CYS 62 -9.552 -5.544 -0.514 421 HB2 CYS 62 1HB CYS 62 -7.269 -5.925 -2.429 422 HB3 CYS 62 2HB CYS 62 -8.887 -6.480 -2.846 423 H SER 63 H SER 63 -6.804 -7.785 -0.885 424 HA SER 63 HA SER 63 -8.209 -10.137 -1.203 425 HB2 SER 63 1HB SER 63 -5.844 -10.174 -1.503 426 HB3 SER 63 2HB SER 63 -5.558 -9.608 0.143 427 HG SER 63 HG SER 63 -6.475 -11.611 0.862 428 H GLN 64 H GLN 64 -7.383 -8.443 1.778 429 HA GLN 64 HA GLN 64 -8.695 -10.493 3.382 430 HB2 GLN 64 1HB GLN 64 -6.490 -9.244 3.975 431 HB3 GLN 64 2HB GLN 64 -7.559 -7.942 4.479 432 HG2 GLN 64 1HG GLN 64 -8.729 -9.676 5.923 433 HG3 GLN 64 2HG GLN 64 -7.341 -10.713 5.600 434 HE21 GLN 64 1HE2 GLN 64 -8.504 -7.911 7.252 435 HE22 GLN 64 2HE2 GLN 64 -7.100 -7.637 8.220 436 H GLU 65 H GLU 65 -10.418 -9.181 1.638 437 HA GLU 65 HA GLU 65 -11.935 -7.371 3.392 438 HB2 GLU 65 1HB GLU 65 -11.180 -6.733 0.973 439 HB3 GLU 65 2HB GLU 65 -12.531 -7.743 0.478 440 HG2 GLU 65 1HG GLU 65 -14.100 -6.345 1.533 441 HG3 GLU 65 2HG GLU 65 -12.849 -5.492 2.435 442 H SER 66 H SER 66 -13.798 -8.033 4.238 443 HA SER 66 HA SER 66 -14.702 -10.610 4.258 444 HB2 SER 66 1HB SER 66 -15.467 -8.484 5.606 445 HB3 SER 66 2HB SER 66 -16.732 -8.410 4.380 446 HG SER 66 HG SER 66 -17.524 -10.319 5.057 447 H GLY 67 H GLY 67 -15.820 -8.004 2.111 448 HA2 GLY 67 1HA GLY 67 -16.130 -9.481 -0.176 449 HA3 GLY 67 2HA GLY 67 -17.640 -9.708 0.694 450 HA PRO 68 HA PRO 68 -18.068 -5.933 -1.953 451 HB2 PRO 68 1HB PRO 68 -20.533 -6.584 -2.886 452 HB3 PRO 68 2HB PRO 68 -19.039 -7.148 -3.644 453 HG2 PRO 68 1HG PRO 68 -20.858 -8.580 -1.746 454 HG3 PRO 68 2HG PRO 68 -20.071 -9.187 -3.215 455 HD2 PRO 68 1HD PRO 68 -19.119 -9.701 -0.733 456 HD3 PRO 68 2HD PRO 68 -18.058 -9.529 -2.146 457 H SER 69 H SER 69 -20.280 -4.587 -2.081 458 HA SER 69 HA SER 69 -20.770 -3.697 0.565 459 HB2 SER 69 1HB SER 69 -21.805 -2.984 -2.146 460 HB3 SER 69 2HB SER 69 -22.694 -2.416 -0.733 461 HG SER 69 HG SER 69 -20.588 -1.313 -1.782 462 H SER 70 H SER 70 -21.660 -5.306 1.814 463 HA SER 70 HA SER 70 -23.869 -6.897 1.009 464 HB2 SER 70 1HB SER 70 -22.268 -7.580 2.775 465 HB3 SER 70 2HB SER 70 -22.894 -6.299 3.813 466 HG SER 70 HG SER 70 -24.905 -7.333 3.791 467 H GLY 71 H GLY 71 -23.649 -4.228 3.372 468 HA2 GLY 71 1HA GLY 71 -26.511 -3.701 2.852 469 HA3 GLY 71 2HA GLY 71 -25.799 -3.565 4.453 Start of MODEL 19 1 H1 GLY 1 H GLY 1 9.508 3.804 21.520 2 HA2 GLY 1 1HA GLY 1 10.728 2.576 19.856 3 HA3 GLY 1 2HA GLY 1 9.028 2.259 19.545 4 H SER 2 H SER 2 8.097 2.994 17.690 5 HA SER 2 HA SER 2 9.751 4.661 15.918 6 HB2 SER 2 1HB SER 2 9.092 3.261 14.002 7 HB3 SER 2 2HB SER 2 9.980 2.323 15.203 8 HG SER 2 HG SER 2 7.839 1.701 16.009 9 H SER 3 H SER 3 8.683 6.461 15.481 10 HA SER 3 HA SER 3 5.838 6.312 14.816 11 HB2 SER 3 1HB SER 3 6.338 7.019 17.294 12 HB3 SER 3 2HB SER 3 6.765 8.566 16.563 13 HG SER 3 HG SER 3 4.533 8.386 17.201 14 H GLY 4 H GLY 4 5.456 7.335 12.968 15 HA2 GLY 4 1HA GLY 4 7.438 8.710 11.532 16 HA3 GLY 4 2HA GLY 4 5.723 8.710 11.150 17 H SER 5 H SER 5 4.875 10.668 11.058 18 HA SER 5 HA SER 5 6.218 12.957 12.092 19 HB2 SER 5 1HB SER 5 4.611 12.750 10.045 20 HB3 SER 5 2HB SER 5 3.338 12.997 11.240 21 HG SER 5 HG SER 5 3.809 15.032 11.191 22 H SER 6 H SER 6 5.385 14.474 13.638 23 HA SER 6 HA SER 6 4.158 13.128 15.909 24 HB2 SER 6 1HB SER 6 4.747 15.263 17.115 25 HB3 SER 6 2HB SER 6 6.126 14.407 16.425 26 HG SER 6 HG SER 6 5.539 16.888 16.038 27 H GLY 7 H GLY 7 2.011 12.958 15.130 28 HA2 GLY 7 1HA GLY 7 -0.042 14.181 15.912 29 HA3 GLY 7 2HA GLY 7 0.574 15.535 14.977 30 H ASP 8 H ASP 8 -1.971 14.154 14.712 31 HA ASP 8 HA ASP 8 -1.776 12.623 12.261 32 HB2 ASP 8 1HB ASP 8 -4.334 13.595 13.518 33 HB3 ASP 8 2HB ASP 8 -4.076 12.169 12.517 34 H MET 9 H MET 9 -2.196 13.325 10.241 35 HA MET 9 HA MET 9 -2.851 16.178 9.934 36 HB2 MET 9 1HB MET 9 -1.640 16.172 7.884 37 HB3 MET 9 2HB MET 9 -0.631 15.354 9.070 38 HG2 MET 9 1HG MET 9 -1.691 13.194 8.132 39 HG3 MET 9 2HG MET 9 -2.134 14.206 6.759 40 HE1 MET 9 1HE MET 9 1.198 16.029 6.618 41 HE2 MET 9 2HE MET 9 0.783 15.299 5.067 42 HE3 MET 9 3HE MET 9 -0.481 16.000 6.079 43 HA PRO 10 HA PRO 10 -6.722 14.922 8.195 44 HB2 PRO 10 1HB PRO 10 -7.436 17.334 7.176 45 HB3 PRO 10 2HB PRO 10 -7.514 16.959 8.902 46 HG2 PRO 10 1HG PRO 10 -5.412 18.452 7.381 47 HG3 PRO 10 2HG PRO 10 -6.134 18.830 8.956 48 HD2 PRO 10 1HD PRO 10 -3.709 17.652 8.711 49 HD3 PRO 10 2HD PRO 10 -4.798 17.319 10.072 50 H VAL 11 H VAL 11 -7.908 15.393 6.013 51 HA VAL 11 HA VAL 11 -6.034 14.678 3.898 52 HB VAL 11 HB VAL 11 -8.017 14.101 2.581 53 HG11 VAL 11 1HG1 VAL 11 -8.450 12.121 3.664 54 HG12 VAL 11 2HG1 VAL 11 -6.968 12.628 4.477 55 HG13 VAL 11 3HG1 VAL 11 -8.532 12.882 5.253 56 HG21 VAL 11 1HG2 VAL 11 -9.694 15.588 3.160 57 HG22 VAL 11 2HG2 VAL 11 -10.229 14.101 3.943 58 HG23 VAL 11 3HG2 VAL 11 -9.440 15.362 4.890 59 H ASP 12 H ASP 12 -6.709 15.547 1.642 60 HA ASP 12 HA ASP 12 -7.870 18.111 1.423 61 HB2 ASP 12 1HB ASP 12 -4.936 17.972 1.905 62 HB3 ASP 12 2HB ASP 12 -5.505 19.110 0.687 63 HA PRO 13 HA PRO 13 -7.866 17.019 -2.825 64 HB2 PRO 13 1HB PRO 13 -7.819 19.448 -4.036 65 HB3 PRO 13 2HB PRO 13 -9.238 18.827 -3.185 66 HG2 PRO 13 1HG PRO 13 -7.158 20.760 -2.238 67 HG3 PRO 13 2HG PRO 13 -8.918 20.823 -2.036 68 HD2 PRO 13 1HD PRO 13 -7.255 19.990 -0.068 69 HD3 PRO 13 2HD PRO 13 -8.895 19.341 -0.271 70 H ASN 14 H ASN 14 -5.544 19.650 -2.174 71 HA ASN 14 HA ASN 14 -3.897 19.526 -4.307 72 HB2 ASN 14 1HB ASN 14 -1.986 19.847 -2.511 73 HB3 ASN 14 2HB ASN 14 -3.204 21.094 -2.765 74 HD21 ASN 14 1HD2 ASN 14 -2.100 18.545 -0.670 75 HD22 ASN 14 2HD2 ASN 14 -3.022 19.012 0.714 76 H GLU 15 H GLU 15 -3.414 17.504 -1.405 77 HA GLU 15 HA GLU 15 -2.185 15.474 -3.148 78 HB2 GLU 15 1HB GLU 15 -1.225 16.564 -0.524 79 HB3 GLU 15 2HB GLU 15 -0.818 14.921 -0.998 80 HG2 GLU 15 1HG GLU 15 1.000 16.052 -1.782 81 HG3 GLU 15 2HG GLU 15 -0.033 16.070 -3.210 82 HA PRO 16 HA PRO 16 -5.677 13.398 -1.096 83 HB2 PRO 16 1HB PRO 16 -5.962 11.520 -3.036 84 HB3 PRO 16 2HB PRO 16 -6.654 13.142 -3.160 85 HG2 PRO 16 1HG PRO 16 -4.136 12.059 -4.363 86 HG3 PRO 16 2HG PRO 16 -5.370 13.099 -5.098 87 HD2 PRO 16 1HD PRO 16 -3.026 14.067 -4.150 88 HD3 PRO 16 2HD PRO 16 -4.533 15.005 -4.110 89 H THR 17 H THR 17 -5.620 11.678 0.248 90 HA THR 17 HA THR 17 -3.149 10.126 0.343 91 HB THR 17 HB THR 17 -4.089 9.294 2.536 92 HG1 THR 17 1HG THR 17 -6.258 9.696 2.340 93 HG21 THR 17 1HG2 THR 17 -2.673 10.887 3.212 94 HG22 THR 17 2HG2 THR 17 -4.072 11.955 3.330 95 HG23 THR 17 3HG2 THR 17 -3.099 11.935 1.860 96 H TYR 18 H TYR 18 -3.012 8.008 -0.116 97 HA TYR 18 HA TYR 18 -5.511 6.604 -0.802 98 HB2 TYR 18 1HB TYR 18 -2.752 6.072 -1.920 99 HB3 TYR 18 2HB TYR 18 -4.262 5.329 -2.438 100 HD1 TYR 18 1HD TYR 18 -2.729 8.719 -2.073 101 HD2 TYR 18 2HD TYR 18 -5.308 6.182 -4.312 102 HE1 TYR 18 1HE TYR 18 -3.027 10.503 -3.740 103 HE2 TYR 18 2HE TYR 18 -5.612 7.958 -5.986 104 HH TYR 18 HH TYR 18 -5.443 10.463 -6.062 105 H CYS 19 H CYS 19 -2.143 5.748 0.015 106 HA CYS 19 HA CYS 19 -2.553 3.232 1.003 107 HB2 CYS 19 1HB CYS 19 -0.325 4.172 0.732 108 HB3 CYS 19 2HB CYS 19 -0.621 5.319 2.034 109 H LEU 20 H LEU 20 -2.532 2.444 3.259 110 HA LEU 20 HA LEU 20 -4.739 3.420 4.700 111 HB2 LEU 20 1HB LEU 20 -2.519 1.656 5.719 112 HB3 LEU 20 2HB LEU 20 -4.134 1.815 6.405 113 HG LEU 20 HG LEU 20 -4.900 0.949 4.060 114 HD11 LEU 20 1HD1 LEU 20 -3.162 0.631 2.683 115 HD12 LEU 20 2HD1 LEU 20 -2.927 -0.861 3.593 116 HD13 LEU 20 3HD1 LEU 20 -1.994 0.578 4.004 117 HD21 LEU 20 1HD2 LEU 20 -5.428 -0.336 5.933 118 HD22 LEU 20 2HD2 LEU 20 -3.734 -0.643 6.318 119 HD23 LEU 20 3HD2 LEU 20 -4.480 -1.431 4.927 120 H CYS 21 H CYS 21 -1.257 3.816 5.178 121 HA CYS 21 HA CYS 21 -1.223 5.053 7.644 122 HB2 CYS 21 1HB CYS 21 0.864 6.171 6.868 123 HB3 CYS 21 2HB CYS 21 0.831 4.444 6.528 124 H HIS 22 H HIS 22 -2.628 6.176 4.767 125 HA HIS 22 HA HIS 22 -3.732 8.088 4.218 126 HB2 HIS 22 1HB HIS 22 -3.437 8.610 7.181 127 HB3 HIS 22 2HB HIS 22 -4.392 9.617 6.097 128 HD1 HIS 22 1HD HIS 22 -6.321 8.136 4.741 129 HD2 HIS 22 2HD HIS 22 -4.888 6.656 8.349 130 HE1 HIS 22 1HE HIS 22 -8.047 6.482 5.522 131 HE2 HIS 22 2HE HIS 22 -7.200 5.664 7.748 132 H GLN 23 H GLN 23 -1.155 8.118 3.509 133 HA GLN 23 HA GLN 23 -0.208 10.812 4.235 134 HB2 GLN 23 1HB GLN 23 1.361 8.392 3.338 135 HB3 GLN 23 2HB GLN 23 2.049 10.001 3.511 136 HG2 GLN 23 1HG GLN 23 1.021 9.780 5.938 137 HG3 GLN 23 2HG GLN 23 1.203 8.062 5.586 138 HE21 GLN 23 1HE2 GLN 23 2.679 8.340 7.481 139 HE22 GLN 23 2HE2 GLN 23 4.327 8.737 7.147 140 H VAL 24 H VAL 24 1.025 11.923 2.487 141 HA VAL 24 HA VAL 24 -0.540 11.967 0.093 142 HB VAL 24 HB VAL 24 0.798 13.815 -0.601 143 HG11 VAL 24 1HG1 VAL 24 1.013 14.678 2.111 144 HG12 VAL 24 2HG1 VAL 24 -0.200 15.107 0.903 145 HG13 VAL 24 3HG1 VAL 24 -0.439 13.695 1.934 146 HG21 VAL 24 1HG2 VAL 24 3.013 13.168 -0.314 147 HG22 VAL 24 2HG2 VAL 24 2.815 14.447 0.884 148 HG23 VAL 24 3HG2 VAL 24 2.776 12.757 1.385 149 H SER 25 H SER 25 0.293 11.739 -2.072 150 HA SER 25 HA SER 25 1.488 9.331 -2.621 151 HB2 SER 25 1HB SER 25 0.283 10.669 -4.301 152 HB3 SER 25 2HB SER 25 1.612 11.828 -4.331 153 HG SER 25 HG SER 25 2.645 10.549 -5.629 154 H TYR 26 H TYR 26 3.459 8.553 -2.328 155 HA TYR 26 HA TYR 26 5.819 10.020 -2.955 156 HB2 TYR 26 1HB TYR 26 6.728 10.457 -0.867 157 HB3 TYR 26 2HB TYR 26 5.028 10.827 -0.598 158 HD1 TYR 26 1HD TYR 26 7.443 7.994 -0.306 159 HD2 TYR 26 2HD TYR 26 3.953 9.885 1.225 160 HE1 TYR 26 1HE TYR 26 7.397 6.387 1.555 161 HE2 TYR 26 2HE TYR 26 3.897 8.284 3.091 162 HH TYR 26 HH TYR 26 6.507 6.043 3.669 163 H GLY 27 H GLY 27 7.772 8.736 -2.682 164 HA2 GLY 27 1HA GLY 27 8.946 6.774 -2.874 165 HA3 GLY 27 2HA GLY 27 7.815 6.111 -1.703 166 H GLU 28 H GLU 28 8.601 4.295 -3.354 167 HA GLU 28 HA GLU 28 7.288 4.166 -5.862 168 HB2 GLU 28 1HB GLU 28 8.631 2.140 -4.099 169 HB3 GLU 28 2HB GLU 28 7.770 1.634 -5.546 170 HG2 GLU 28 1HG GLU 28 10.185 3.403 -5.349 171 HG3 GLU 28 2HG GLU 28 10.034 1.842 -6.153 172 H MET 29 H MET 29 5.335 3.384 -6.448 173 HA MET 29 HA MET 29 3.665 2.122 -4.387 174 HB2 MET 29 1HB MET 29 2.758 4.323 -6.251 175 HB3 MET 29 2HB MET 29 1.735 3.456 -5.114 176 HG2 MET 29 1HG MET 29 3.138 4.327 -3.267 177 HG3 MET 29 2HG MET 29 4.026 5.286 -4.448 178 HE1 MET 29 1HE MET 29 -0.405 5.563 -3.528 179 HE2 MET 29 2HE MET 29 0.716 4.245 -3.186 180 HE3 MET 29 3HE MET 29 0.625 5.631 -2.098 181 H ILE 30 H ILE 30 1.647 1.145 -5.392 182 HA ILE 30 HA ILE 30 2.169 0.177 -8.119 183 HB ILE 30 HB ILE 30 1.653 -2.076 -7.555 184 HG12 ILE 30 1HG1 ILE 30 -0.036 -1.253 -5.732 185 HG13 ILE 30 2HG1 ILE 30 0.738 -2.824 -5.558 186 HG21 ILE 30 1HG2 ILE 30 3.535 -0.952 -5.485 187 HG22 ILE 30 2HG2 ILE 30 3.442 -2.642 -5.977 188 HG23 ILE 30 3HG2 ILE 30 3.954 -1.414 -7.134 189 HD11 ILE 30 1HD1 ILE 30 0.612 -1.309 -3.510 190 HD12 ILE 30 2HD1 ILE 30 2.162 -2.065 -3.880 191 HD13 ILE 30 3HD1 ILE 30 1.887 -0.371 -4.286 192 H GLY 31 H GLY 31 0.230 -0.869 -9.103 193 HA2 GLY 31 1HA GLY 31 -2.206 0.540 -8.209 194 HA3 GLY 31 2HA GLY 31 -1.846 0.147 -9.883 195 H CYS 32 H CYS 32 -3.400 -0.848 -7.046 196 HA CYS 32 HA CYS 32 -3.443 -3.579 -7.095 197 HB2 CYS 32 1HB CYS 32 -4.682 -1.992 -5.523 198 HB3 CYS 32 2HB CYS 32 -5.961 -1.960 -6.732 199 H ASP 33 H ASP 33 -4.668 -5.175 -8.119 200 HA ASP 33 HA ASP 33 -5.359 -4.568 -10.857 201 HB2 ASP 33 1HB ASP 33 -4.142 -6.674 -9.990 202 HB3 ASP 33 2HB ASP 33 -5.744 -7.238 -9.523 203 H ASN 34 H ASN 34 -7.036 -5.701 -7.949 204 HA ASN 34 HA ASN 34 -9.524 -6.276 -8.886 205 HB2 ASN 34 1HB ASN 34 -8.770 -6.353 -6.488 206 HB3 ASN 34 2HB ASN 34 -9.036 -4.614 -6.408 207 HD21 ASN 34 1HD2 ASN 34 -10.608 -4.828 -4.829 208 HD22 ASN 34 2HD2 ASN 34 -12.186 -5.440 -5.174 209 HA PRO 35 HA PRO 35 -10.708 -2.481 -10.910 210 HB2 PRO 35 1HB PRO 35 -13.130 -3.373 -11.750 211 HB3 PRO 35 2HB PRO 35 -11.615 -3.815 -12.546 212 HG2 PRO 35 1HG PRO 35 -13.237 -5.366 -10.565 213 HG3 PRO 35 2HG PRO 35 -12.443 -5.930 -12.047 214 HD2 PRO 35 1HD PRO 35 -11.373 -6.303 -9.588 215 HD3 PRO 35 2HD PRO 35 -10.376 -6.065 -11.037 216 H ASP 36 H ASP 36 -12.337 -4.114 -8.329 217 HA ASP 36 HA ASP 36 -14.335 -2.062 -7.951 218 HB2 ASP 36 1HB ASP 36 -14.517 -4.587 -7.370 219 HB3 ASP 36 2HB ASP 36 -13.636 -4.151 -5.908 220 H CYS 37 H CYS 37 -11.220 -2.939 -6.598 221 HA CYS 37 HA CYS 37 -11.081 -1.589 -4.255 222 HB2 CYS 37 1HB CYS 37 -9.228 -2.845 -5.513 223 HB3 CYS 37 2HB CYS 37 -8.883 -1.307 -6.296 224 H SER 38 H SER 38 -11.074 0.466 -3.541 225 HA SER 38 HA SER 38 -11.702 2.554 -5.467 226 HB2 SER 38 1HB SER 38 -11.918 2.276 -2.494 227 HB3 SER 38 2HB SER 38 -11.888 3.891 -3.202 228 HG SER 38 HG SER 38 -13.731 3.433 -4.324 229 H ILE 39 H ILE 39 -9.233 1.784 -3.063 230 HA ILE 39 HA ILE 39 -7.761 4.203 -3.437 231 HB ILE 39 HB ILE 39 -6.872 1.578 -2.236 232 HG12 ILE 39 1HG1 ILE 39 -7.553 4.046 -0.679 233 HG13 ILE 39 2HG1 ILE 39 -8.845 2.984 -1.228 234 HG21 ILE 39 1HG2 ILE 39 -5.255 3.603 -3.064 235 HG22 ILE 39 2HG2 ILE 39 -5.568 4.062 -1.391 236 HG23 ILE 39 3HG2 ILE 39 -4.875 2.482 -1.757 237 HD11 ILE 39 1HD1 ILE 39 -6.964 1.292 -0.071 238 HD12 ILE 39 2HD1 ILE 39 -7.053 2.693 0.998 239 HD13 ILE 39 3HD1 ILE 39 -8.516 1.791 0.603 240 H GLU 40 H GLU 40 -6.853 0.834 -4.198 241 HA GLU 40 HA GLU 40 -5.487 -0.041 -5.796 242 HB2 GLU 40 1HB GLU 40 -6.099 2.169 -7.688 243 HB3 GLU 40 2HB GLU 40 -6.090 0.432 -7.955 244 HG2 GLU 40 1HG GLU 40 -8.176 0.553 -6.325 245 HG3 GLU 40 2HG GLU 40 -8.256 2.192 -6.967 246 H TRP 41 H TRP 41 -4.266 1.753 -3.966 247 HA TRP 41 HA TRP 41 -1.821 2.249 -5.351 248 HB2 TRP 41 1HB TRP 41 -3.566 4.575 -4.572 249 HB3 TRP 41 2HB TRP 41 -1.815 4.737 -4.676 250 HD1 TRP 41 HD TRP 41 -4.885 4.870 -6.766 251 HE1 TRP 41 1HE TRP 41 -4.260 5.095 -9.252 252 HE3 TRP 41 3HE TRP 41 0.110 3.830 -6.445 253 HZ2 TRP 41 2HZ TRP 41 -1.955 4.862 -10.865 254 HZ3 TRP 41 3HZ TRP 41 1.454 3.851 -8.506 255 HH2 TRP 41 HH TRP 41 0.440 4.356 -10.669 256 H PHE 42 H PHE 42 -0.283 1.746 -3.947 257 HA PHE 42 HA PHE 42 -0.496 2.623 -1.175 258 HB2 PHE 42 1HB PHE 42 -0.008 -0.269 -1.919 259 HB3 PHE 42 2HB PHE 42 0.017 0.398 -0.290 260 HD1 PHE 42 1HD PHE 42 -2.209 -0.023 -3.238 261 HD2 PHE 42 2HD PHE 42 -1.912 0.397 0.987 262 HE1 PHE 42 1HE PHE 42 -4.621 -0.464 -3.028 263 HE2 PHE 42 2HE PHE 42 -4.323 -0.043 1.204 264 HZ PHE 42 HZ PHE 42 -5.680 -0.475 -0.804 265 H HIS 43 H HIS 43 1.616 1.769 0.013 266 HA HIS 43 HA HIS 43 3.857 2.476 -1.758 267 HB2 HIS 43 1HB HIS 43 3.760 2.662 1.258 268 HB3 HIS 43 2HB HIS 43 5.011 3.302 0.197 269 HD2 HIS 43 2HD HIS 43 3.858 5.392 -1.618 270 HE1 HIS 43 1HE HIS 43 1.115 6.567 1.398 271 HE2 HIS 43 2HE HIS 43 2.143 7.158 -0.824 272 H PHE 44 H PHE 44 5.453 1.061 -2.100 273 HA PHE 44 HA PHE 44 5.333 -1.600 -1.691 274 HB2 PHE 44 1HB PHE 44 7.669 0.254 -1.929 275 HB3 PHE 44 2HB PHE 44 7.960 -1.450 -1.596 276 HD1 PHE 44 2HD PHE 44 5.479 0.266 -3.784 277 HD2 PHE 44 1HD PHE 44 8.758 -2.434 -3.514 278 HE1 PHE 44 2HE PHE 44 5.258 -0.236 -6.182 279 HE2 PHE 44 1HE PHE 44 8.543 -2.940 -5.912 280 HZ PHE 44 HZ PHE 44 6.791 -1.841 -7.249 281 H ALA 45 H ALA 45 7.497 0.365 0.348 282 HA ALA 45 HA ALA 45 8.099 -1.415 2.295 283 HB1 ALA 45 1HB ALA 45 7.411 1.225 3.383 284 HB2 ALA 45 2HB ALA 45 8.932 0.334 3.434 285 HB3 ALA 45 3HB ALA 45 8.493 1.247 1.991 286 H CYS 46 H CYS 46 5.272 0.760 2.420 287 HA CYS 46 HA CYS 46 4.142 -0.097 4.773 288 HB2 CYS 46 1HB CYS 46 3.069 1.079 2.262 289 HB3 CYS 46 2HB CYS 46 1.903 0.370 3.375 290 H VAL 47 H VAL 47 3.830 -1.545 1.561 291 HA VAL 47 HA VAL 47 2.287 -3.759 2.708 292 HB VAL 47 HB VAL 47 1.856 -4.438 0.386 293 HG11 VAL 47 1HG1 VAL 47 0.505 -2.428 -0.275 294 HG12 VAL 47 2HG1 VAL 47 0.236 -2.999 1.373 295 HG13 VAL 47 3HG1 VAL 47 1.236 -1.575 1.084 296 HG21 VAL 47 1HG2 VAL 47 3.537 -2.029 -0.284 297 HG22 VAL 47 2HG2 VAL 47 3.852 -3.710 -0.713 298 HG23 VAL 47 3HG2 VAL 47 2.493 -2.854 -1.441 299 H GLY 48 H GLY 48 5.221 -3.328 3.066 300 HA2 GLY 48 1HA GLY 48 7.220 -4.474 2.834 301 HA3 GLY 48 2HA GLY 48 6.179 -5.847 3.180 302 H LEU 49 H LEU 49 7.246 -3.794 0.479 303 HA LEU 49 HA LEU 49 7.187 -6.195 -1.228 304 HB2 LEU 49 1HB LEU 49 6.266 -3.427 -1.692 305 HB3 LEU 49 2HB LEU 49 7.101 -4.208 -3.033 306 HG LEU 49 HG LEU 49 4.635 -5.277 -1.659 307 HD11 LEU 49 1HD1 LEU 49 3.708 -3.577 -2.836 308 HD12 LEU 49 2HD1 LEU 49 3.829 -4.753 -4.144 309 HD13 LEU 49 3HD1 LEU 49 5.047 -3.488 -3.981 310 HD21 LEU 49 1HD2 LEU 49 6.152 -6.206 -4.095 311 HD22 LEU 49 2HD2 LEU 49 4.580 -6.823 -3.586 312 HD23 LEU 49 3HD2 LEU 49 5.995 -7.057 -2.558 313 H THR 50 H THR 50 9.315 -6.783 -0.940 314 HA THR 50 HA THR 50 11.534 -5.105 -0.891 315 HB THR 50 HB THR 50 11.497 -7.909 -2.020 316 HG1 THR 50 1HG THR 50 12.192 -7.468 0.636 317 HG21 THR 50 1HG2 THR 50 13.638 -7.186 -2.416 318 HG22 THR 50 2HG2 THR 50 13.817 -7.766 -0.760 319 HG23 THR 50 3HG2 THR 50 13.616 -6.043 -1.074 320 H THR 51 H THR 51 9.835 -6.547 -3.622 321 HA THR 51 HA THR 51 11.083 -4.620 -5.402 322 HB THR 51 HB THR 51 11.197 -7.550 -6.120 323 HG1 THR 51 1HG THR 51 13.363 -7.481 -5.550 324 HG21 THR 51 1HG2 THR 51 11.728 -5.042 -7.505 325 HG22 THR 51 2HG2 THR 51 11.521 -6.669 -8.154 326 HG23 THR 51 3HG2 THR 51 13.097 -6.152 -7.556 327 H LYS 52 H LYS 52 9.896 -4.210 -7.269 328 HA LYS 52 HA LYS 52 7.232 -4.158 -7.267 329 HB2 LYS 52 1HB LYS 52 8.965 -3.446 -9.109 330 HB3 LYS 52 2HB LYS 52 8.501 -4.969 -9.855 331 HG2 LYS 52 1HG LYS 52 6.275 -4.277 -10.137 332 HG3 LYS 52 2HG LYS 52 6.473 -2.917 -9.030 333 HD2 LYS 52 1HD LYS 52 8.027 -3.144 -11.595 334 HD3 LYS 52 2HD LYS 52 6.436 -2.384 -11.520 335 HE2 LYS 52 1HE LYS 52 8.718 -1.559 -9.743 336 HE3 LYS 52 2HE LYS 52 8.445 -0.844 -11.331 337 HZ1 LYS 52 1HZ LYS 52 7.320 0.587 -9.954 338 HZ2 LYS 52 2HZ LYS 52 6.809 -0.631 -8.897 339 HZ3 LYS 52 3HZ LYS 52 6.072 -0.461 -10.410 340 HA PRO 53 HA PRO 53 5.892 -8.391 -7.123 341 HB2 PRO 53 1HB PRO 53 3.233 -7.870 -7.294 342 HB3 PRO 53 2HB PRO 53 4.166 -7.632 -5.811 343 HG2 PRO 53 1HG PRO 53 3.319 -5.620 -7.860 344 HG3 PRO 53 2HG PRO 53 3.297 -5.493 -6.091 345 HD2 PRO 53 1HD PRO 53 5.241 -4.374 -7.607 346 HD3 PRO 53 2HD PRO 53 5.544 -4.996 -5.973 347 H ARG 54 H ARG 54 6.337 -9.516 -8.933 348 HA ARG 54 HA ARG 54 5.474 -8.697 -11.534 349 HB2 ARG 54 1HB ARG 54 7.523 -10.192 -10.741 350 HB3 ARG 54 2HB ARG 54 6.370 -11.492 -11.013 351 HG2 ARG 54 1HG ARG 54 7.267 -11.425 -13.081 352 HG3 ARG 54 2HG ARG 54 6.050 -10.167 -13.306 353 HD2 ARG 54 1HD ARG 54 8.782 -9.479 -12.296 354 HD3 ARG 54 2HD ARG 54 8.501 -9.713 -14.021 355 HE ARG 54 HE ARG 54 6.725 -7.857 -12.668 356 HH11 ARG 54 2HH1 ARG 54 9.576 -8.320 -14.610 357 HH12 ARG 54 1HH1 ARG 54 9.597 -6.691 -15.200 358 HH21 ARG 54 2HH2 ARG 54 6.741 -5.710 -13.437 359 HH22 ARG 54 1HH2 ARG 54 7.984 -5.207 -14.532 360 H GLY 55 H GLY 55 4.158 -10.043 -12.975 361 HA2 GLY 55 1HA GLY 55 2.291 -11.290 -13.496 362 HA3 GLY 55 2HA GLY 55 2.413 -12.036 -11.909 363 H LYS 56 H LYS 56 1.290 -11.154 -10.166 364 HA LYS 56 HA LYS 56 -0.473 -8.883 -10.718 365 HB2 LYS 56 1HB LYS 56 -1.412 -11.562 -9.676 366 HB3 LYS 56 2HB LYS 56 -2.397 -10.106 -9.740 367 HG2 LYS 56 1HG LYS 56 -1.754 -10.163 -12.282 368 HG3 LYS 56 2HG LYS 56 -1.473 -11.873 -11.948 369 HD2 LYS 56 1HD LYS 56 -3.683 -11.963 -12.511 370 HD3 LYS 56 2HD LYS 56 -3.843 -11.651 -10.781 371 HE2 LYS 56 1HE LYS 56 -5.293 -10.102 -11.710 372 HE3 LYS 56 2HE LYS 56 -3.823 -9.158 -11.478 373 HZ1 LYS 56 1HZ LYS 56 -4.841 -10.322 -14.006 374 HZ2 LYS 56 2HZ LYS 56 -3.278 -9.697 -13.845 375 HZ3 LYS 56 3HZ LYS 56 -4.619 -8.686 -13.636 376 H TRP 57 H TRP 57 -1.716 -8.306 -8.626 377 HA TRP 57 HA TRP 57 -0.506 -9.018 -6.138 378 HB2 TRP 57 1HB TRP 57 1.251 -7.534 -6.978 379 HB3 TRP 57 2HB TRP 57 0.063 -6.262 -7.249 380 HD1 TRP 57 HD TRP 57 1.901 -8.080 -4.413 381 HE1 TRP 57 1HE TRP 57 1.753 -6.636 -2.288 382 HE3 TRP 57 3HE TRP 57 -1.305 -4.475 -6.104 383 HZ2 TRP 57 2HZ TRP 57 0.449 -4.280 -1.440 384 HZ3 TRP 57 3HZ TRP 57 -1.954 -2.661 -4.573 385 HH2 TRP 57 HH TRP 57 -1.094 -2.568 -2.289 386 H PHE 58 H PHE 58 -2.044 -8.859 -4.648 387 HA PHE 58 HA PHE 58 -4.261 -6.981 -5.129 388 HB2 PHE 58 1HB PHE 58 -4.282 -9.561 -3.548 389 HB3 PHE 58 2HB PHE 58 -5.665 -8.504 -3.815 390 HD1 PHE 58 2HD PHE 58 -6.452 -8.154 -6.204 391 HD2 PHE 58 1HD PHE 58 -3.750 -11.241 -5.069 392 HE1 PHE 58 2HE PHE 58 -6.989 -9.379 -8.270 393 HE2 PHE 58 1HE PHE 58 -4.281 -12.470 -7.133 394 HZ PHE 58 HZ PHE 58 -5.903 -11.540 -8.736 395 H CYS 59 H CYS 59 -4.002 -5.216 -3.928 396 HA CYS 59 HA CYS 59 -2.414 -4.715 -1.812 397 HB2 CYS 59 1HB CYS 59 -3.725 -2.835 -1.322 398 HB3 CYS 59 2HB CYS 59 -4.072 -3.152 -3.019 399 HA PRO 60 HA PRO 60 -3.686 -6.990 1.718 400 HB2 PRO 60 1HB PRO 60 -3.128 -5.237 3.715 401 HB3 PRO 60 2HB PRO 60 -1.874 -6.090 2.807 402 HG2 PRO 60 1HG PRO 60 -2.891 -3.295 2.465 403 HG3 PRO 60 2HG PRO 60 -1.221 -3.890 2.433 404 HD2 PRO 60 1HD PRO 60 -2.618 -3.345 0.178 405 HD3 PRO 60 2HD PRO 60 -1.393 -4.628 0.256 406 H ARG 61 H ARG 61 -5.360 -4.305 0.656 407 HA ARG 61 HA ARG 61 -7.291 -4.350 2.858 408 HB2 ARG 61 1HB ARG 61 -6.954 -2.485 0.507 409 HB3 ARG 61 2HB ARG 61 -8.293 -2.388 1.642 410 HG2 ARG 61 1HG ARG 61 -5.487 -2.323 2.655 411 HG3 ARG 61 2HG ARG 61 -6.208 -0.874 1.953 412 HD2 ARG 61 1HD ARG 61 -7.265 -2.467 4.285 413 HD3 ARG 61 2HD ARG 61 -6.517 -0.872 4.353 414 HE ARG 61 HE ARG 61 -8.761 -0.839 2.630 415 HH11 ARG 61 2HH1 ARG 61 -7.894 -0.953 6.000 416 HH12 ARG 61 1HH1 ARG 61 -9.354 -0.189 6.536 417 HH21 ARG 61 2HH2 ARG 61 -10.687 0.168 3.323 418 HH22 ARG 61 1HH2 ARG 61 -10.943 0.447 5.012 419 H CYS 62 H CYS 62 -6.816 -5.514 -0.323 420 HA CYS 62 HA CYS 62 -9.681 -6.033 -0.686 421 HB2 CYS 62 1HB CYS 62 -7.346 -6.196 -2.597 422 HB3 CYS 62 2HB CYS 62 -8.973 -6.730 -3.005 423 H SER 63 H SER 63 -6.542 -7.665 -0.587 424 HA SER 63 HA SER 63 -7.760 -10.281 -0.788 425 HB2 SER 63 1HB SER 63 -5.005 -9.194 -0.772 426 HB3 SER 63 2HB SER 63 -5.198 -10.814 -0.100 427 HG SER 63 HG SER 63 -6.486 -11.140 -2.163 428 H GLN 64 H GLN 64 -8.452 -8.523 1.475 429 HA GLN 64 HA GLN 64 -7.207 -9.681 3.801 430 HB2 GLN 64 1HB GLN 64 -8.270 -7.298 3.473 431 HB3 GLN 64 2HB GLN 64 -9.756 -8.121 3.928 432 HG2 GLN 64 1HG GLN 64 -8.604 -7.021 5.817 433 HG3 GLN 64 2HG GLN 64 -8.837 -8.754 6.041 434 HE21 GLN 64 1HE2 GLN 64 -7.157 -8.593 7.632 435 HE22 GLN 64 2HE2 GLN 64 -5.501 -8.601 7.142 436 H GLU 65 H GLU 65 -8.228 -11.710 2.262 437 HA GLU 65 HA GLU 65 -10.842 -12.485 3.163 438 HB2 GLU 65 1HB GLU 65 -8.681 -13.897 1.609 439 HB3 GLU 65 2HB GLU 65 -10.167 -14.705 2.087 440 HG2 GLU 65 1HG GLU 65 -10.122 -12.167 0.481 441 HG3 GLU 65 2HG GLU 65 -10.121 -13.774 -0.243 442 H SER 66 H SER 66 -7.515 -13.406 3.938 443 HA SER 66 HA SER 66 -7.907 -15.560 5.584 444 HB2 SER 66 1HB SER 66 -5.815 -14.991 6.668 445 HB3 SER 66 2HB SER 66 -5.690 -14.603 4.952 446 HG SER 66 HG SER 66 -6.207 -12.412 5.549 447 H GLY 67 H GLY 67 -8.209 -12.130 6.421 448 HA2 GLY 67 1HA GLY 67 -10.013 -12.810 8.582 449 HA3 GLY 67 2HA GLY 67 -8.488 -12.108 9.102 450 HA PRO 68 HA PRO 68 -11.256 -8.872 6.712 451 HB2 PRO 68 1HB PRO 68 -13.868 -9.126 7.408 452 HB3 PRO 68 2HB PRO 68 -13.173 -9.908 5.984 453 HG2 PRO 68 1HG PRO 68 -13.736 -11.058 8.690 454 HG3 PRO 68 2HG PRO 68 -14.026 -11.767 7.091 455 HD2 PRO 68 1HD PRO 68 -11.895 -12.442 8.619 456 HD3 PRO 68 2HD PRO 68 -11.830 -12.424 6.845 457 H SER 69 H SER 69 -10.866 -9.909 9.835 458 HA SER 69 HA SER 69 -12.241 -8.485 11.607 459 HB2 SER 69 1HB SER 69 -9.930 -9.766 11.817 460 HB3 SER 69 2HB SER 69 -9.281 -8.126 11.810 461 HG SER 69 HG SER 69 -11.145 -7.889 13.481 462 H SER 70 H SER 70 -12.737 -6.435 12.091 463 HA SER 70 HA SER 70 -11.655 -4.334 10.376 464 HB2 SER 70 1HB SER 70 -14.172 -4.725 10.818 465 HB3 SER 70 2HB SER 70 -13.870 -3.969 12.382 466 HG SER 70 HG SER 70 -13.760 -2.861 9.811 467 H GLY 71 H GLY 71 -9.791 -5.203 12.175 468 HA2 GLY 71 1HA GLY 71 -8.229 -3.753 13.306 469 HA3 GLY 71 2HA GLY 71 -9.598 -2.876 13.974 Start of MODEL 20 1 H1 GLY 1 H GLY 1 25.839 31.941 28.283 2 HA2 GLY 1 1HA GLY 1 26.451 30.617 25.982 3 HA3 GLY 1 2HA GLY 1 25.003 30.278 26.919 4 H SER 2 H SER 2 24.311 29.672 24.657 5 HA SER 2 HA SER 2 22.928 31.973 23.488 6 HB2 SER 2 1HB SER 2 25.106 31.322 22.228 7 HB3 SER 2 2HB SER 2 24.179 29.928 21.673 8 HG SER 2 HG SER 2 23.784 32.658 21.142 9 H SER 3 H SER 3 21.381 31.070 21.677 10 HA SER 3 HA SER 3 20.383 28.446 21.892 11 HB2 SER 3 1HB SER 3 18.284 28.876 23.105 12 HB3 SER 3 2HB SER 3 19.685 29.170 24.134 13 HG SER 3 HG SER 3 18.419 30.918 24.429 14 H GLY 4 H GLY 4 19.155 28.028 20.152 15 HA2 GLY 4 1HA GLY 4 17.194 29.602 19.014 16 HA3 GLY 4 2HA GLY 4 18.692 30.089 18.235 17 H SER 5 H SER 5 16.088 28.121 17.939 18 HA SER 5 HA SER 5 17.330 26.600 15.828 19 HB2 SER 5 1HB SER 5 16.062 25.097 18.129 20 HB3 SER 5 2HB SER 5 16.798 24.399 16.686 21 HG SER 5 HG SER 5 18.488 24.331 17.959 22 H SER 6 H SER 6 15.939 26.837 14.221 23 HA SER 6 HA SER 6 13.087 26.383 14.732 24 HB2 SER 6 1HB SER 6 12.455 28.304 13.369 25 HB3 SER 6 2HB SER 6 13.475 28.833 14.706 26 HG SER 6 HG SER 6 14.455 29.789 13.067 27 H GLY 7 H GLY 7 12.167 25.066 13.285 28 HA2 GLY 7 1HA GLY 7 13.688 24.488 10.819 29 HA3 GLY 7 2HA GLY 7 12.716 23.303 11.679 30 H ASP 8 H ASP 8 11.515 22.827 9.816 31 HA ASP 8 HA ASP 8 9.144 24.318 9.504 32 HB2 ASP 8 1HB ASP 8 11.002 25.652 8.200 33 HB3 ASP 8 2HB ASP 8 10.743 24.413 6.976 34 H MET 9 H MET 9 7.580 23.153 8.448 35 HA MET 9 HA MET 9 8.379 20.462 7.605 36 HB2 MET 9 1HB MET 9 5.861 21.646 8.697 37 HB3 MET 9 2HB MET 9 5.760 20.194 7.711 38 HG2 MET 9 1HG MET 9 5.918 19.268 9.782 39 HG3 MET 9 2HG MET 9 7.622 19.336 9.340 40 HE1 MET 9 1HE MET 9 4.985 20.178 11.876 41 HE2 MET 9 2HE MET 9 6.297 19.104 12.361 42 HE3 MET 9 3HE MET 9 6.078 20.653 13.177 43 HA PRO 10 HA PRO 10 7.706 22.039 3.443 44 HB2 PRO 10 1HB PRO 10 8.771 19.870 2.206 45 HB3 PRO 10 2HB PRO 10 9.759 21.158 2.905 46 HG2 PRO 10 1HG PRO 10 9.055 18.482 4.046 47 HG3 PRO 10 2HG PRO 10 10.615 19.325 4.051 48 HD2 PRO 10 1HD PRO 10 8.971 19.287 6.203 49 HD3 PRO 10 2HD PRO 10 10.025 20.666 5.831 50 H VAL 11 H VAL 11 6.072 19.830 5.193 51 HA VAL 11 HA VAL 11 4.667 18.566 2.968 52 HB VAL 11 HB VAL 11 3.530 17.225 4.621 53 HG11 VAL 11 1HG1 VAL 11 6.461 17.459 4.615 54 HG12 VAL 11 2HG1 VAL 11 5.779 16.550 5.965 55 HG13 VAL 11 3HG1 VAL 11 5.431 16.061 4.306 56 HG21 VAL 11 1HG2 VAL 11 4.390 19.367 6.413 57 HG22 VAL 11 2HG2 VAL 11 3.022 18.261 6.542 58 HG23 VAL 11 3HG2 VAL 11 4.623 17.749 7.074 59 H ASP 12 H ASP 12 2.281 18.544 2.986 60 HA ASP 12 HA ASP 12 0.838 20.559 4.399 61 HB2 ASP 12 1HB ASP 12 0.177 21.615 2.037 62 HB3 ASP 12 2HB ASP 12 1.515 22.237 3.000 63 HA PRO 13 HA PRO 13 -2.542 17.970 3.344 64 HB2 PRO 13 1HB PRO 13 -4.605 19.735 3.310 65 HB3 PRO 13 2HB PRO 13 -3.810 19.215 4.801 66 HG2 PRO 13 1HG PRO 13 -3.408 21.722 3.214 67 HG3 PRO 13 2HG PRO 13 -3.527 21.517 4.972 68 HD2 PRO 13 1HD PRO 13 -1.156 21.811 3.697 69 HD3 PRO 13 2HD PRO 13 -1.335 20.832 5.167 70 H ASN 14 H ASN 14 -2.152 20.903 1.419 71 HA ASN 14 HA ASN 14 -3.894 20.671 -0.611 72 HB2 ASN 14 1HB ASN 14 -0.968 21.364 -0.672 73 HB3 ASN 14 2HB ASN 14 -1.932 21.390 -2.146 74 HD21 ASN 14 1HD2 ASN 14 -2.314 23.430 -2.619 75 HD22 ASN 14 2HD2 ASN 14 -2.884 24.636 -1.521 76 H GLU 15 H GLU 15 -0.745 18.989 -0.639 77 HA GLU 15 HA GLU 15 -1.165 17.480 -2.933 78 HB2 GLU 15 1HB GLU 15 0.580 17.192 -0.533 79 HB3 GLU 15 2HB GLU 15 0.431 15.815 -1.616 80 HG2 GLU 15 1HG GLU 15 2.316 16.965 -2.363 81 HG3 GLU 15 2HG GLU 15 1.039 17.417 -3.490 82 HA PRO 16 HA PRO 16 -4.263 14.564 -1.788 83 HB2 PRO 16 1HB PRO 16 -3.778 12.693 -3.695 84 HB3 PRO 16 2HB PRO 16 -4.566 14.237 -4.043 85 HG2 PRO 16 1HG PRO 16 -1.709 13.435 -4.442 86 HG3 PRO 16 2HG PRO 16 -2.775 14.353 -5.522 87 HD2 PRO 16 1HD PRO 16 -0.920 15.543 -3.948 88 HD3 PRO 16 2HD PRO 16 -2.461 16.321 -4.364 89 H THR 17 H THR 17 -4.516 12.320 -1.106 90 HA THR 17 HA THR 17 -2.023 10.971 -0.349 91 HB THR 17 HB THR 17 -3.211 10.420 1.883 92 HG1 THR 17 1HG THR 17 -5.123 11.768 0.887 93 HG21 THR 17 1HG2 THR 17 -1.354 11.649 2.307 94 HG22 THR 17 2HG2 THR 17 -2.534 12.916 2.645 95 HG23 THR 17 3HG2 THR 17 -1.739 12.848 1.072 96 H TYR 18 H TYR 18 -2.083 8.808 -0.573 97 HA TYR 18 HA TYR 18 -4.698 7.579 -1.157 98 HB2 TYR 18 1HB TYR 18 -1.988 6.781 -2.239 99 HB3 TYR 18 2HB TYR 18 -3.523 6.012 -2.628 100 HD1 TYR 18 1HD TYR 18 -1.581 9.144 -2.977 101 HD2 TYR 18 2HD TYR 18 -4.940 6.896 -4.307 102 HE1 TYR 18 1HE TYR 18 -1.886 10.716 -4.844 103 HE2 TYR 18 2HE TYR 18 -5.253 8.461 -6.178 104 HH TYR 18 HH TYR 18 -2.987 10.542 -7.236 105 H CYS 19 H CYS 19 -1.425 6.423 -0.338 106 HA CYS 19 HA CYS 19 -1.990 4.079 0.871 107 HB2 CYS 19 1HB CYS 19 0.291 4.918 0.616 108 HB3 CYS 19 2HB CYS 19 0.003 6.130 1.860 109 H LEU 20 H LEU 20 -2.189 3.413 3.122 110 HA LEU 20 HA LEU 20 -4.327 4.718 4.428 111 HB2 LEU 20 1HB LEU 20 -2.444 2.672 5.587 112 HB3 LEU 20 2HB LEU 20 -4.063 3.065 6.162 113 HG LEU 20 HG LEU 20 -4.687 2.293 3.684 114 HD11 LEU 20 1HD1 LEU 20 -3.199 0.118 3.475 115 HD12 LEU 20 2HD1 LEU 20 -2.002 1.158 4.245 116 HD13 LEU 20 3HD1 LEU 20 -2.733 1.639 2.714 117 HD21 LEU 20 1HD2 LEU 20 -5.851 0.911 4.970 118 HD22 LEU 20 2HD2 LEU 20 -4.716 1.139 6.301 119 HD23 LEU 20 3HD2 LEU 20 -4.429 -0.124 5.103 120 H CYS 21 H CYS 21 -0.858 4.863 4.799 121 HA CYS 21 HA CYS 21 -0.764 6.073 7.344 122 HB2 CYS 21 1HB CYS 21 1.521 6.693 6.772 123 HB3 CYS 21 2HB CYS 21 1.196 5.044 6.248 124 H HIS 22 H HIS 22 -2.110 7.219 4.556 125 HA HIS 22 HA HIS 22 -2.903 9.249 3.901 126 HB2 HIS 22 1HB HIS 22 -2.199 9.908 6.761 127 HB3 HIS 22 2HB HIS 22 -2.969 11.064 5.679 128 HD1 HIS 22 1HD HIS 22 -5.254 9.839 4.478 129 HD2 HIS 22 2HD HIS 22 -4.040 8.656 8.271 130 HE1 HIS 22 1HE HIS 22 -7.274 8.770 5.528 131 HE2 HIS 22 2HE HIS 22 -6.540 8.138 7.853 132 H GLN 23 H GLN 23 -0.505 8.742 2.893 133 HA GLN 23 HA GLN 23 1.000 11.255 3.213 134 HB2 GLN 23 1HB GLN 23 1.934 8.450 2.686 135 HB3 GLN 23 2HB GLN 23 2.917 9.826 2.205 136 HG2 GLN 23 1HG GLN 23 1.911 9.741 4.994 137 HG3 GLN 23 2HG GLN 23 3.213 8.643 4.542 138 HE21 GLN 23 1HE2 GLN 23 5.200 9.390 4.711 139 HE22 GLN 23 2HE2 GLN 23 5.658 11.055 4.773 140 H VAL 24 H VAL 24 2.200 11.923 1.229 141 HA VAL 24 HA VAL 24 0.398 11.824 -1.039 142 HB VAL 24 HB VAL 24 1.618 13.617 -1.960 143 HG11 VAL 24 1HG1 VAL 24 1.812 15.232 -0.092 144 HG12 VAL 24 2HG1 VAL 24 0.313 14.301 -0.053 145 HG13 VAL 24 3HG1 VAL 24 1.634 13.893 1.042 146 HG21 VAL 24 1HG2 VAL 24 3.850 12.879 -1.883 147 HG22 VAL 24 2HG2 VAL 24 3.817 14.342 -0.900 148 HG23 VAL 24 3HG2 VAL 24 3.837 12.759 -0.124 149 H SER 25 H SER 25 1.658 11.855 -3.266 150 HA SER 25 HA SER 25 2.539 9.240 -3.730 151 HB2 SER 25 1HB SER 25 2.890 9.893 -5.975 152 HB3 SER 25 2HB SER 25 1.585 10.935 -5.407 153 HG SER 25 HG SER 25 4.329 11.662 -5.454 154 H TYR 26 H TYR 26 4.426 8.281 -3.394 155 HA TYR 26 HA TYR 26 6.934 9.551 -3.828 156 HB2 TYR 26 1HB TYR 26 7.752 9.848 -1.672 157 HB3 TYR 26 2HB TYR 26 6.086 10.395 -1.514 158 HD1 TYR 26 1HD TYR 26 8.254 7.409 -1.011 159 HD2 TYR 26 2HD TYR 26 4.697 9.458 0.110 160 HE1 TYR 26 1HE TYR 26 7.905 5.794 0.811 161 HE2 TYR 26 2HE TYR 26 4.339 7.849 1.936 162 HH TYR 26 HH TYR 26 6.745 5.439 2.761 163 H GLY 27 H GLY 27 8.766 8.096 -3.337 164 HA2 GLY 27 1HA GLY 27 9.741 6.040 -3.693 165 HA3 GLY 27 2HA GLY 27 8.651 5.516 -2.418 166 H GLU 28 H GLU 28 9.058 3.523 -3.893 167 HA GLU 28 HA GLU 28 7.642 3.387 -6.358 168 HB2 GLU 28 1HB GLU 28 8.824 1.329 -4.512 169 HB3 GLU 28 2HB GLU 28 7.875 0.851 -5.913 170 HG2 GLU 28 1HG GLU 28 10.182 0.785 -6.505 171 HG3 GLU 28 2HG GLU 28 9.433 2.142 -7.345 172 H MET 29 H MET 29 5.567 2.931 -6.774 173 HA MET 29 HA MET 29 3.879 1.988 -4.554 174 HB2 MET 29 1HB MET 29 3.169 4.095 -6.603 175 HB3 MET 29 2HB MET 29 2.063 3.435 -5.406 176 HG2 MET 29 1HG MET 29 3.443 4.332 -3.615 177 HG3 MET 29 2HG MET 29 4.581 4.967 -4.801 178 HE1 MET 29 1HE MET 29 0.243 6.062 -4.303 179 HE2 MET 29 2HE MET 29 1.150 4.746 -3.558 180 HE3 MET 29 3HE MET 29 1.155 6.349 -2.821 181 H ILE 30 H ILE 30 1.717 1.157 -5.395 182 HA ILE 30 HA ILE 30 1.956 -0.081 -8.040 183 HB ILE 30 HB ILE 30 1.486 -2.261 -7.302 184 HG12 ILE 30 1HG1 ILE 30 -0.185 -1.356 -5.537 185 HG13 ILE 30 2HG1 ILE 30 0.631 -2.883 -5.218 186 HG21 ILE 30 1HG2 ILE 30 3.247 -2.700 -5.552 187 HG22 ILE 30 2HG2 ILE 30 3.786 -1.804 -6.971 188 HG23 ILE 30 3HG2 ILE 30 3.472 -0.953 -5.459 189 HD11 ILE 30 1HD1 ILE 30 2.107 -1.871 -3.675 190 HD12 ILE 30 2HD1 ILE 30 1.608 -0.250 -4.159 191 HD13 ILE 30 3HD1 ILE 30 0.487 -1.294 -3.286 192 H GLY 31 H GLY 31 -0.083 -0.930 -8.864 193 HA2 GLY 31 1HA GLY 31 -2.372 0.561 -7.747 194 HA3 GLY 31 2HA GLY 31 -2.177 0.161 -9.447 195 H CYS 32 H CYS 32 -3.667 -0.703 -6.585 196 HA CYS 32 HA CYS 32 -3.800 -3.423 -6.483 197 HB2 CYS 32 1HB CYS 32 -5.006 -1.745 -5.008 198 HB3 CYS 32 2HB CYS 32 -6.256 -1.683 -6.246 199 H ASP 33 H ASP 33 -5.417 -4.956 -7.263 200 HA ASP 33 HA ASP 33 -6.238 -4.344 -10.026 201 HB2 ASP 33 1HB ASP 33 -5.310 -6.920 -8.761 202 HB3 ASP 33 2HB ASP 33 -6.154 -6.882 -10.307 203 H ASN 34 H ASN 34 -7.822 -3.727 -7.724 204 HA ASN 34 HA ASN 34 -10.073 -5.583 -8.140 205 HB2 ASN 34 1HB ASN 34 -8.873 -5.407 -5.791 206 HB3 ASN 34 2HB ASN 34 -9.869 -3.963 -5.636 207 HD21 ASN 34 1HD2 ASN 34 -11.438 -4.497 -4.285 208 HD22 ASN 34 2HD2 ASN 34 -12.466 -5.878 -4.433 209 HA PRO 35 HA PRO 35 -12.103 -1.985 -9.746 210 HB2 PRO 35 1HB PRO 35 -14.574 -3.086 -9.971 211 HB3 PRO 35 2HB PRO 35 -13.258 -3.440 -11.097 212 HG2 PRO 35 1HG PRO 35 -14.234 -5.039 -8.762 213 HG3 PRO 35 2HG PRO 35 -13.769 -5.593 -10.381 214 HD2 PRO 35 1HD PRO 35 -12.122 -5.797 -8.242 215 HD3 PRO 35 2HD PRO 35 -11.518 -5.535 -9.891 216 H ASP 36 H ASP 36 -12.953 -3.652 -6.830 217 HA ASP 36 HA ASP 36 -14.951 -1.727 -6.022 218 HB2 ASP 36 1HB ASP 36 -15.174 -4.062 -5.327 219 HB3 ASP 36 2HB ASP 36 -13.630 -3.973 -4.484 220 H CYS 37 H CYS 37 -11.546 -2.293 -5.528 221 HA CYS 37 HA CYS 37 -11.011 -0.852 -3.247 222 HB2 CYS 37 1HB CYS 37 -9.443 -2.123 -4.951 223 HB3 CYS 37 2HB CYS 37 -9.202 -0.505 -5.602 224 H SER 38 H SER 38 -10.541 1.294 -2.773 225 HA SER 38 HA SER 38 -11.693 3.230 -4.660 226 HB2 SER 38 1HB SER 38 -11.242 3.424 -1.672 227 HB3 SER 38 2HB SER 38 -11.906 4.716 -2.673 228 HG SER 38 HG SER 38 -13.159 2.594 -1.606 229 H ILE 39 H ILE 39 -8.923 2.709 -2.513 230 HA ILE 39 HA ILE 39 -7.566 5.087 -3.368 231 HB ILE 39 HB ILE 39 -6.638 2.700 -1.776 232 HG12 ILE 39 1HG1 ILE 39 -6.992 5.558 -0.879 233 HG13 ILE 39 2HG1 ILE 39 -8.302 4.384 -0.814 234 HG21 ILE 39 1HG2 ILE 39 -4.873 4.853 -1.399 235 HG22 ILE 39 2HG2 ILE 39 -4.537 3.299 -2.162 236 HG23 ILE 39 3HG2 ILE 39 -5.067 4.666 -3.142 237 HD11 ILE 39 1HD1 ILE 39 -5.649 3.970 0.532 238 HD12 ILE 39 2HD1 ILE 39 -7.041 4.716 1.319 239 HD13 ILE 39 3HD1 ILE 39 -7.136 3.048 0.755 240 H GLU 40 H GLU 40 -6.800 1.620 -3.762 241 HA GLU 40 HA GLU 40 -5.657 0.490 -5.372 242 HB2 GLU 40 1HB GLU 40 -6.142 2.627 -7.388 243 HB3 GLU 40 2HB GLU 40 -6.288 0.882 -7.545 244 HG2 GLU 40 1HG GLU 40 -8.291 1.251 -5.869 245 HG3 GLU 40 2HG GLU 40 -8.254 2.873 -6.559 246 H TRP 41 H TRP 41 -4.147 2.200 -3.728 247 HA TRP 41 HA TRP 41 -1.744 2.363 -5.246 248 HB2 TRP 41 1HB TRP 41 -3.197 4.907 -4.557 249 HB3 TRP 41 2HB TRP 41 -1.445 4.875 -4.734 250 HD1 TRP 41 HD TRP 41 -4.605 5.081 -6.725 251 HE1 TRP 41 1HE TRP 41 -4.054 5.131 -9.239 252 HE3 TRP 41 3HE TRP 41 0.347 3.831 -6.495 253 HZ2 TRP 41 2HZ TRP 41 -1.816 4.697 -10.904 254 HZ3 TRP 41 3HZ TRP 41 1.621 3.669 -8.594 255 HH2 TRP 41 HH TRP 41 0.560 4.093 -10.752 256 H PHE 42 H PHE 42 -0.156 1.862 -3.892 257 HA PHE 42 HA PHE 42 -0.186 2.879 -1.161 258 HB2 PHE 42 1HB PHE 42 0.118 -0.072 -1.751 259 HB3 PHE 42 2HB PHE 42 0.173 0.691 -0.165 260 HD1 PHE 42 1HD PHE 42 -2.043 0.026 -3.059 261 HD2 PHE 42 2HD PHE 42 -1.781 1.033 1.068 262 HE1 PHE 42 1HE PHE 42 -4.473 -0.285 -2.833 263 HE2 PHE 42 2HE PHE 42 -4.210 0.722 1.302 264 HZ PHE 42 HZ PHE 42 -5.560 0.062 -0.650 265 H HIS 43 H HIS 43 1.901 2.280 -0.014 266 HA HIS 43 HA HIS 43 4.105 2.574 -1.928 267 HB2 HIS 43 1HB HIS 43 4.209 3.062 1.049 268 HB3 HIS 43 2HB HIS 43 5.361 3.598 -0.170 269 HD2 HIS 43 2HD HIS 43 3.987 5.490 -2.083 270 HE1 HIS 43 1HE HIS 43 1.627 7.009 1.099 271 HE2 HIS 43 2HE HIS 43 2.378 7.350 -1.281 272 H PHE 44 H PHE 44 5.536 0.995 -2.221 273 HA PHE 44 HA PHE 44 5.325 -1.574 -1.505 274 HB2 PHE 44 1HB PHE 44 7.725 0.119 -2.042 275 HB3 PHE 44 2HB PHE 44 7.976 -1.530 -1.479 276 HD1 PHE 44 2HD PHE 44 5.631 0.094 -3.890 277 HD2 PHE 44 1HD PHE 44 8.520 -2.952 -3.184 278 HE1 PHE 44 2HE PHE 44 5.315 -0.734 -6.185 279 HE2 PHE 44 1HE PHE 44 8.208 -3.784 -5.478 280 HZ PHE 44 HZ PHE 44 6.603 -2.676 -6.982 281 H ALA 45 H ALA 45 7.694 0.432 0.242 282 HA ALA 45 HA ALA 45 8.259 -1.157 2.347 283 HB1 ALA 45 1HB ALA 45 7.783 1.818 2.488 284 HB2 ALA 45 2HB ALA 45 8.663 0.865 3.684 285 HB3 ALA 45 3HB ALA 45 9.290 1.018 2.043 286 H CYS 46 H CYS 46 5.436 0.993 2.144 287 HA CYS 46 HA CYS 46 4.386 0.424 4.684 288 HB2 CYS 46 1HB CYS 46 3.352 1.608 2.166 289 HB3 CYS 46 2HB CYS 46 2.152 1.014 3.309 290 H VAL 47 H VAL 47 3.501 -0.929 1.506 291 HA VAL 47 HA VAL 47 1.873 -2.975 2.745 292 HB VAL 47 HB VAL 47 1.570 -3.789 0.394 293 HG11 VAL 47 1HG1 VAL 47 0.005 -2.222 1.440 294 HG12 VAL 47 2HG1 VAL 47 0.974 -0.868 0.855 295 HG13 VAL 47 3HG1 VAL 47 0.156 -1.929 -0.292 296 HG21 VAL 47 1HG2 VAL 47 3.790 -2.862 -0.377 297 HG22 VAL 47 2HG2 VAL 47 2.422 -2.570 -1.451 298 HG23 VAL 47 3HG2 VAL 47 3.018 -1.276 -0.411 299 H GLY 48 H GLY 48 4.790 -2.893 3.269 300 HA2 GLY 48 1HA GLY 48 6.671 -4.259 3.129 301 HA3 GLY 48 2HA GLY 48 5.472 -5.447 3.620 302 H LEU 49 H LEU 49 6.510 -3.796 0.631 303 HA LEU 49 HA LEU 49 6.171 -6.352 -0.783 304 HB2 LEU 49 1HB LEU 49 5.856 -3.510 -1.561 305 HB3 LEU 49 2HB LEU 49 6.464 -4.619 -2.789 306 HG LEU 49 HG LEU 49 3.819 -4.787 -1.347 307 HD11 LEU 49 1HD1 LEU 49 3.765 -4.752 -4.229 308 HD12 LEU 49 2HD1 LEU 49 4.589 -3.330 -3.591 309 HD13 LEU 49 3HD1 LEU 49 2.945 -3.702 -3.074 310 HD21 LEU 49 1HD2 LEU 49 4.105 -6.999 -1.671 311 HD22 LEU 49 2HD2 LEU 49 5.358 -6.770 -2.890 312 HD23 LEU 49 3HD2 LEU 49 3.658 -6.603 -3.330 313 H THR 50 H THR 50 8.191 -7.206 -0.165 314 HA THR 50 HA THR 50 10.666 -6.002 -0.306 315 HB THR 50 HB THR 50 11.600 -8.287 -0.709 316 HG1 THR 50 1HG THR 50 8.877 -8.792 -1.192 317 HG21 THR 50 1HG2 THR 50 11.298 -8.848 1.463 318 HG22 THR 50 2HG2 THR 50 9.541 -8.753 1.353 319 HG23 THR 50 3HG2 THR 50 10.493 -7.281 1.539 320 H THR 51 H THR 51 8.803 -7.511 -2.899 321 HA THR 51 HA THR 51 10.449 -6.103 -4.853 322 HB THR 51 HB THR 51 9.855 -9.014 -5.321 323 HG1 THR 51 1HG THR 51 11.270 -9.362 -3.768 324 HG21 THR 51 1HG2 THR 51 11.051 -8.772 -7.215 325 HG22 THR 51 2HG2 THR 51 12.251 -7.736 -6.440 326 HG23 THR 51 3HG2 THR 51 10.724 -7.053 -6.998 327 H LYS 52 H LYS 52 9.382 -5.590 -6.742 328 HA LYS 52 HA LYS 52 6.681 -5.160 -6.723 329 HB2 LYS 52 1HB LYS 52 8.427 -4.285 -8.367 330 HB3 LYS 52 2HB LYS 52 8.183 -5.779 -9.262 331 HG2 LYS 52 1HG LYS 52 6.010 -5.218 -9.856 332 HG3 LYS 52 2HG LYS 52 5.866 -4.017 -8.569 333 HD2 LYS 52 1HD LYS 52 7.373 -2.533 -9.712 334 HD3 LYS 52 2HD LYS 52 7.726 -3.760 -10.931 335 HE2 LYS 52 1HE LYS 52 4.935 -2.755 -10.474 336 HE3 LYS 52 2HE LYS 52 6.059 -1.898 -11.527 337 HZ1 LYS 52 1HZ LYS 52 5.870 -4.737 -12.025 338 HZ2 LYS 52 2HZ LYS 52 5.872 -3.444 -13.115 339 HZ3 LYS 52 3HZ LYS 52 4.442 -3.882 -12.326 340 HA PRO 53 HA PRO 53 5.030 -9.280 -7.073 341 HB2 PRO 53 1HB PRO 53 2.421 -8.533 -7.142 342 HB3 PRO 53 2HB PRO 53 3.371 -8.567 -5.652 343 HG2 PRO 53 1HG PRO 53 2.686 -6.242 -7.408 344 HG3 PRO 53 2HG PRO 53 2.675 -6.349 -5.638 345 HD2 PRO 53 1HD PRO 53 4.701 -5.195 -7.015 346 HD3 PRO 53 2HD PRO 53 4.955 -6.050 -5.480 347 H ARG 54 H ARG 54 5.858 -9.659 -9.199 348 HA ARG 54 HA ARG 54 4.918 -8.601 -11.574 349 HB2 ARG 54 1HB ARG 54 5.492 -11.095 -12.380 350 HB3 ARG 54 2HB ARG 54 6.729 -9.904 -12.003 351 HG2 ARG 54 1HG ARG 54 7.258 -10.896 -9.984 352 HG3 ARG 54 2HG ARG 54 5.705 -11.727 -9.871 353 HD2 ARG 54 1HD ARG 54 6.565 -12.909 -12.063 354 HD3 ARG 54 2HD ARG 54 8.142 -12.442 -11.427 355 HE ARG 54 HE ARG 54 6.798 -13.650 -9.341 356 HH11 ARG 54 2HH1 ARG 54 7.874 -14.535 -12.532 357 HH12 ARG 54 1HH1 ARG 54 8.095 -16.207 -12.135 358 HH21 ARG 54 2HH2 ARG 54 7.086 -15.849 -8.807 359 HH22 ARG 54 1HH2 ARG 54 7.645 -16.954 -10.017 360 H GLY 55 H GLY 55 3.267 -9.073 -12.983 361 HA2 GLY 55 1HA GLY 55 1.401 -10.248 -13.796 362 HA3 GLY 55 2HA GLY 55 1.411 -11.228 -12.338 363 H LYS 56 H LYS 56 -0.219 -10.887 -10.996 364 HA LYS 56 HA LYS 56 -1.529 -8.247 -11.036 365 HB2 LYS 56 1HB LYS 56 -3.577 -9.492 -10.264 366 HB3 LYS 56 2HB LYS 56 -3.060 -9.855 -11.905 367 HG2 LYS 56 1HG LYS 56 -1.983 -11.908 -11.095 368 HG3 LYS 56 2HG LYS 56 -2.560 -11.550 -9.466 369 HD2 LYS 56 1HD LYS 56 -4.786 -11.921 -10.042 370 HD3 LYS 56 2HD LYS 56 -4.474 -11.715 -11.767 371 HE2 LYS 56 1HE LYS 56 -4.893 -14.072 -11.091 372 HE3 LYS 56 2HE LYS 56 -3.334 -13.820 -11.874 373 HZ1 LYS 56 1HZ LYS 56 -3.357 -13.611 -8.975 374 HZ2 LYS 56 2HZ LYS 56 -2.214 -14.318 -10.001 375 HZ3 LYS 56 3HZ LYS 56 -3.626 -15.159 -9.603 376 H TRP 57 H TRP 57 -1.946 -7.228 -9.127 377 HA TRP 57 HA TRP 57 -1.160 -8.619 -6.655 378 HB2 TRP 57 1HB TRP 57 0.672 -7.155 -7.214 379 HB3 TRP 57 2HB TRP 57 -0.429 -5.809 -7.496 380 HD1 TRP 57 HD TRP 57 1.082 -7.878 -4.632 381 HE1 TRP 57 1HE TRP 57 0.878 -6.521 -2.454 382 HE3 TRP 57 3HE TRP 57 -1.728 -3.976 -6.368 383 HZ2 TRP 57 2HZ TRP 57 -0.316 -4.115 -1.587 384 HZ3 TRP 57 3HZ TRP 57 -2.359 -2.188 -4.800 385 HH2 TRP 57 HH TRP 57 -1.668 -2.258 -2.459 386 H PHE 58 H PHE 58 -2.210 -7.926 -4.743 387 HA PHE 58 HA PHE 58 -4.500 -6.132 -5.094 388 HB2 PHE 58 1HB PHE 58 -4.675 -8.864 -3.806 389 HB3 PHE 58 2HB PHE 58 -5.983 -7.691 -3.923 390 HD1 PHE 58 2HD PHE 58 -7.083 -7.262 -6.049 391 HD2 PHE 58 1HD PHE 58 -3.997 -10.173 -5.702 392 HE1 PHE 58 2HE PHE 58 -7.744 -8.217 -8.218 393 HE2 PHE 58 1HE PHE 58 -4.653 -11.132 -7.871 394 HZ PHE 58 HZ PHE 58 -6.529 -10.154 -9.131 395 H CYS 59 H CYS 59 -4.499 -4.633 -3.566 396 HA CYS 59 HA CYS 59 -2.690 -4.379 -1.527 397 HB2 CYS 59 1HB CYS 59 -4.012 -2.616 -0.682 398 HB3 CYS 59 2HB CYS 59 -4.368 -2.660 -2.406 399 HA PRO 60 HA PRO 60 -3.772 -7.130 1.717 400 HB2 PRO 60 1HB PRO 60 -3.100 -5.667 3.903 401 HB3 PRO 60 2HB PRO 60 -1.900 -6.380 2.819 402 HG2 PRO 60 1HG PRO 60 -2.926 -3.570 2.922 403 HG3 PRO 60 2HG PRO 60 -1.262 -4.147 2.716 404 HD2 PRO 60 1HD PRO 60 -2.780 -3.303 0.638 405 HD3 PRO 60 2HD PRO 60 -1.556 -4.579 0.471 406 H ARG 61 H ARG 61 -5.625 -4.567 0.957 407 HA ARG 61 HA ARG 61 -7.401 -4.867 3.284 408 HB2 ARG 61 1HB ARG 61 -7.483 -2.683 1.200 409 HB3 ARG 61 2HB ARG 61 -8.350 -2.731 2.729 410 HG2 ARG 61 1HG ARG 61 -6.325 -2.454 3.966 411 HG3 ARG 61 2HG ARG 61 -5.352 -2.635 2.505 412 HD2 ARG 61 1HD ARG 61 -5.709 -0.269 3.355 413 HD3 ARG 61 2HD ARG 61 -6.058 -0.561 1.651 414 HE ARG 61 HE ARG 61 -8.227 0.009 2.057 415 HH11 ARG 61 2HH1 ARG 61 -6.722 -0.855 5.075 416 HH12 ARG 61 1HH1 ARG 61 -8.094 -0.411 6.036 417 HH21 ARG 61 2HH2 ARG 61 -10.039 0.597 3.311 418 HH22 ARG 61 1HH2 ARG 61 -9.980 0.414 5.031 419 H CYS 62 H CYS 62 -7.071 -5.439 -0.087 420 HA CYS 62 HA CYS 62 -9.940 -5.985 -0.377 421 HB2 CYS 62 1HB CYS 62 -7.736 -5.751 -2.435 422 HB3 CYS 62 2HB CYS 62 -9.400 -6.182 -2.814 423 H SER 63 H SER 63 -6.796 -7.501 -0.366 424 HA SER 63 HA SER 63 -7.854 -10.064 -1.225 425 HB2 SER 63 1HB SER 63 -5.469 -9.028 -1.680 426 HB3 SER 63 2HB SER 63 -5.093 -9.743 -0.113 427 HG SER 63 HG SER 63 -4.992 -11.601 -1.065 428 H GLN 64 H GLN 64 -8.695 -8.724 1.325 429 HA GLN 64 HA GLN 64 -7.613 -10.299 3.459 430 HB2 GLN 64 1HB GLN 64 -9.745 -8.246 3.174 431 HB3 GLN 64 2HB GLN 64 -9.846 -9.328 4.557 432 HG2 GLN 64 1HG GLN 64 -7.511 -8.683 5.139 433 HG3 GLN 64 2HG GLN 64 -7.582 -7.480 3.853 434 HE21 GLN 64 1HE2 GLN 64 -8.989 -5.712 4.073 435 HE22 GLN 64 2HE2 GLN 64 -9.589 -5.225 5.618 436 H GLU 65 H GLU 65 -8.329 -12.094 1.581 437 HA GLU 65 HA GLU 65 -9.526 -13.992 1.197 438 HB2 GLU 65 1HB GLU 65 -8.885 -14.200 3.674 439 HB3 GLU 65 2HB GLU 65 -10.549 -13.748 4.018 440 HG2 GLU 65 1HG GLU 65 -11.379 -15.682 2.888 441 HG3 GLU 65 2HG GLU 65 -9.767 -16.092 2.304 442 H SER 66 H SER 66 -10.778 -11.757 0.260 443 HA SER 66 HA SER 66 -13.378 -11.265 1.118 444 HB2 SER 66 1HB SER 66 -11.988 -10.996 -1.526 445 HB3 SER 66 2HB SER 66 -13.724 -10.709 -1.421 446 HG SER 66 HG SER 66 -11.945 -9.463 0.374 447 H GLY 67 H GLY 67 -15.385 -11.806 -0.205 448 HA2 GLY 67 1HA GLY 67 -16.231 -14.328 0.095 449 HA3 GLY 67 2HA GLY 67 -16.779 -13.343 -1.252 450 HA PRO 68 HA PRO 68 -13.558 -16.786 -2.490 451 HB2 PRO 68 1HB PRO 68 -14.677 -19.172 -1.838 452 HB3 PRO 68 2HB PRO 68 -13.553 -18.316 -0.776 453 HG2 PRO 68 1HG PRO 68 -16.544 -18.416 -0.683 454 HG3 PRO 68 2HG PRO 68 -15.378 -18.526 0.649 455 HD2 PRO 68 1HD PRO 68 -16.715 -16.244 0.067 456 HD3 PRO 68 2HD PRO 68 -15.070 -16.243 0.734 457 H SER 69 H SER 69 -14.048 -18.733 -4.022 458 HA SER 69 HA SER 69 -14.864 -19.141 -6.135 459 HB2 SER 69 1HB SER 69 -17.086 -20.095 -6.087 460 HB3 SER 69 2HB SER 69 -16.265 -20.519 -4.585 461 HG SER 69 HG SER 69 -17.538 -19.170 -3.483 462 H SER 70 H SER 70 -14.532 -16.413 -5.818 463 HA SER 70 HA SER 70 -16.621 -14.702 -6.197 464 HB2 SER 70 1HB SER 70 -15.085 -13.257 -7.449 465 HB3 SER 70 2HB SER 70 -14.264 -13.987 -6.070 466 HG SER 70 HG SER 70 -13.741 -14.234 -8.727 467 H GLY 71 H GLY 71 -17.570 -13.731 -8.102 468 HA2 GLY 71 1HA GLY 71 -18.695 -15.585 -9.860 469 HA3 GLY 71 2HA GLY 71 -18.696 -13.844 -10.098
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